SCHEMBL3379260

SCHEMBL3379260

Cc1cc(O)c(C(C)C)cc1C=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
TYR P14679 1/20 0.46
MAPT P10636 5/20 0.45
PKM P14618 4/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
ALOX15 P16050 2/20 0.45
CYP2C19 P33261 2/20 0.45
HIF1A Q16665 2/20 0.45
THRB P10828 1/20 0.45
TRPA1 O75762 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41

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
SCHEMBL18415735 0.92 LMNA (0.48) LMNATYRMAPTPKMCYP1A2
SCHEMBL29973971 0.84 TYR (0.53) LMNATYRMAPTPKMCYP1A2
SCHEMBL723126 0.84 TYR (0.53) LMNATYRMAPTPKMCYP1A2
Hydrochloric Acid SCHEMBL28927068 0.82 TYR (0.52) LMNATYRMAPTPKMCYP1A2
SCHEMBL13049121 0.82 GRIA1 (0.42) LMNATYRPKMCYP1A2CYP2D6
SCHEMBL28622384 0.81 LMNA (0.53) LMNAMAPTPKMCYP1A2CYP2D6
SCHEMBL15978282 0.80 TYR (0.53) LMNATYRMAPTPKMCYP1A2
SCHEMBL23094609 0.79 TYR (0.44) LMNATYRMAPTPKMCYP1A2
SCHEMBL1001763 0.79 ERN1 (0.50) TYRMAPTCYP3A4ALDH1A1ERN1
SCHEMBL282019 0.77 ERN1 (0.48) TYRMAPTPKMCYP1A2CYP2D6

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558433-B1 PROCESS FOR THE PREPARATION OF HYDROQUINONES MERCK PATENT GMBH (DE) 2014-06-18 EP disclosed
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP disclosed
US-7812040-B2 such as 3-(3-Acetyl-phenyl)-1-[3-(3-chloro-4-pyrrolidin-1-ylmethyl-phenoxy)-cyclobutylmethyl]-1-methyl-urea, used for the treatment of , schizophrenia, Alzheimer's disease, attention-deficit hyperactivity disorder, hypotension, allergies, cardiovascular, gastrointestinal and psychological disorders PFIZER INC. (US) 2010-10-12 US disclosed
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER INC. (US) 2009-05-21 US disclosed
EP-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP disclosed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO disclosed
US-7071212-B2 N-(4-carbamimidoyl-phenyl)-glycine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
EP-1149069-B1 PHENYLGLYCINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2004-02-19 US disclosed
US-6683215-B2 TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION AND ARTERIOSCLEROSIS, WHICH ARE ASSOCIATED WITH COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA AND TISSUE FACTOR; ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. 2004-01-27 US disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 US disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed
US-4119671-A OXIDATION OF HYDROXYBENZYL ALCOHOLS, PLATINUM CATALYST, ACTIVATORS BAYER AKTIENGESELLSCHAFT (DE) 1978-10-10 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 (4 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-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS HRH3, HRH4, HRH2 LMNA 4511/4885TYR 186/4885MAPT 320/4885
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS LMNA 2613/4885TYR 4365/4885MAPT 1417/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS LMNA 2613/4885TYR 4365/4885MAPT 1417/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS LMNA 2613/4885TYR 4365/4885MAPT 1417/4885

“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.