SCHEMBL555490

SCHEMBL555490

Cc1cc(C)c(CCO)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
HTR1D P28221 2/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
XDH P47989 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HTR1B P28222 1/20 0.34
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
UGT2B17 O75795 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29249877 0.85 HRH3 (0.44) HRH3HTR1DRAPGEF4ALDH1A1KDM4E
SCHEMBL9112523 0.84 ALDH1A1 (0.48) HRH3HTR1DALDH1A1KDM4ELMNA
SCHEMBL27995904 0.83 HRH3 (0.54) HRH3HTR1DRAPGEF4ALDH1A1KDM4E
SCHEMBL30994921 0.83 HRH3 (0.35) HRH3ALDH1A1KDM4ELMNAGAA
SCHEMBL19126690 0.83 HRH3 (0.35) HRH3ALDH1A1KDM4ELMNAGAA
SCHEMBL13631462 0.80 HTR1D (0.34) HRH3HTR1DALDH1A1TSHRHTT
SCHEMBL2382572 0.80 HTR1D (0.39) HRH3HTR1DALDH1A1TSHRHTT
SCHEMBL3859523 0.80 HTR1D (0.38) HRH3HTR1DALDH1A1KDM4ETSHR
SCHEMBL19126573 0.80 MEN1 (0.35) HRH3HTR1DRAPGEF4ALDH1A1GAA
SCHEMBL19126702 0.80 GAA (0.38) HRH3HTR1DALDH1A1LMNAGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118253300-A Preparation of beta-UO by using depleted uranium as raw material3Catalyst for selective catalytic oxidation of aniline or its derivatives 兰州大学 2024-06-28 CN disclosed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
CN-108503579-A Fentanyl analog and its application 南京医科大学 2018-09-07 CN disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2014-02-27 US disclosed
EP-2298769-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2013-10-30 EP disclosed
US-8569349-B2 Therapeutic compounds ALLERGAN, INC. (US) 2013-10-29 US disclosed
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-06-27 US disclosed
US-20130005767-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2013-01-03 US disclosed
US-8338637-B2 Glaucoma; prostaglandin receptor modulators; cyclopentyl compounds such as 5-{3-[(1S,5S)-5-(3-Chloro-5-hydroxymethyl-phenoxymethyl)-4-oxo-cyclopent-2-enyl]-propyl}-thiophene-2-carboxylic acid ALLERGAN, INC. (US) 2012-12-25 US disclosed
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-09-14 US disclosed
WO-2006091592-A1 NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2006-08-31 WO disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 US disclosed
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2004-04-22 US disclosed
EP-1368349-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-12-10 EP disclosed
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-26 US disclosed
WO-2002068420-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-06 WO disclosed
US-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 US disclosed
US-4687859-A CHEMICAL INTERMEDIATE FOR BIOTIN HOFFMANN-LA ROCHE INC. (US) 1987-08-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 HRH3 1584/4885HTR1D 343/4885RAPGEF4 3420/4885
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 HRH3 868/4885HTR1D 578/4885RAPGEF4 3700/4885
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 HRH3 868/4885HTR1D 578/4885RAPGEF4 3700/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 HRH3 781/4885HTR1D 3691/4885RAPGEF4 998/4885
US-20130005767-A1 THERAPEUTIC COMPOUNDS THPO, HLA-C, PIGO HRH3 1576/4885HTR1D 4676/4885RAPGEF4 3696/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 HRH3 781/4885HTR1D 3691/4885RAPGEF4 998/4885
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 HRH3 933/4885HTR1D 937/4885RAPGEF4 3342/4885
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 HRH3 1584/4885HTR1D 343/4885RAPGEF4 3420/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 HRH3 2563/4885HTR1D 1335/4885RAPGEF4 3732/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.