SCHEMBL4399507

SCHEMBL4399507

C=CCc1ccc(Oc2cc(C)ccc2C(C)C)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
PPARA Q07869 3/20 0.58
PPARG P37231 1/20 0.58
PPARD Q03181 1/20 0.58
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
PTGS1 P23219 2/20 0.49
CYP3A4 P08684 3/20 0.48
ALOX5 P09917 2/20 0.48
AR P10275 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL9615212 0.84 ALDH1A1 (0.65) ALDH1A1PPARAPPARGPPARDMEN1
SCHEMBL20735158 0.84 ALDH1A1 (0.67) ALDH1A1PPARAPPARGPPARDMEN1
SCHEMBL1870530 0.82 ALDH1A1 (0.86) ALDH1A1PPARAPPARGPPARDMEN1
SCHEMBL8333482 0.80 ALDH1A1 (0.55) ALDH1A1PPARAPPARGPPARDMEN1
Methyleugenol SCHEMBL6464321 0.79 ALDH1A1 (0.69) ALDH1A1PPARAPPARGPPARDMEN1
Eugenol SCHEMBL4399504 0.79 TRPM8 (0.68) ALDH1A1PPARAPPARGPPARDMEN1
SCHEMBL6729119 0.78 ALDH1A1 (0.58) ALDH1A1PPARAPPARGPPARDMEN1
Thymol SCHEMBL7649930 0.78 CYP3A4 (0.42) ALDH1A1PPARAPPARGPPARDMEN1
Methyleugenol SCHEMBL1869396 0.76 ALDH1A1 (1.00) ALDH1A1PPARAPPARGPPARDMEN1
Methyleugenol SCHEMBL113794 0.76 ALDH1A1 (1.00) ALDH1A1PPARAPPARGPPARDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008133982-A2 ADHESIVE PATCH WITH AVERSIVE AGENT LECTEC CORPORATION (US) 2008-11-06 WO claimed
WO-2004110401-A2 INHALATION ANTIVIRAL PATCH LECTEC CORPORATION (US) 2004-12-23 WO claimed
US-20040071757-A1 Inhalation antiviral patch LECTEC CORPORATION 2004-04-15 US claimed
US-4725633-A Process for the preparation of odored synthetic leather SHIBANAI ICHIRO (JP) 1988-02-16 US claimed
US-20230232824-A1 PESTICIDAL OR REPELLANT COMPOSITION AND METHOD OF USE OPTIMALLY BALANCED CORP (US) 2023-07-27 US disclosed
WO-2014144073-A2 AUGMENTING MOIETIES FOR ANTI-INFLAMMATORY COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-09-18 WO disclosed
US-7632871-B2 Methods of making and methods of using antiseptic disinfectant, cosmetic and toiletries, medicine or food containing the same MANDOM CORPORATION (JP) 2009-12-15 US disclosed
WO-2008133982-A2 ADHESIVE PATCH WITH AVERSIVE AGENT LECTEC CORPORATION (US) 2008-11-06 WO disclosed
US-20060210593-A1 Methods of making and methods of using antiseptic disinfectant, cosmetic and toiletries, medicine or food containing the same MANDOM CORPORATION (JP) 2006-09-21 US disclosed
WO-2004110401-A2 INHALATION ANTIVIRAL PATCH LECTEC CORPORATION (US) 2004-12-23 WO disclosed
US-20040071757-A1 Inhalation antiviral patch LECTEC CORPORATION 2004-04-15 US disclosed
EP-0735856-A1 CONCENTRATED MOUTHRINSE FOR EFFICIENT DELIVERY OF ANTIMICROBIALS THE PROCTER & GAMBLE COMPANY (US) 1996-10-09 EP disclosed
WO-1995017159-A1 CONCENTRATED MOUTHRINSE FOR EFFICIENT DELIVERY OF ANTIMICROBIALS THE PROCTER & GAMBLE COMPANY (US) 1995-06-29 WO disclosed
US-4725633-A Process for the preparation of odored synthetic leather SHIBANAI ICHIRO (JP) 1988-02-16 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 (2 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-20040071757-A1 Inhalation antiviral patch ICAM1, EPCAM, GJA1 ALDH1A1 1799/4885PPARA 362/4885PPARG 795/4885
US-20060210593-A1 Methods of making and methods of using antiseptic disinfectant, cosmetic and toiletries, medicine or food containing the same CUTA, ACMSD, HAAO ALDH1A1 100/4885PPARA 1156/4885PPARG 1632/4885

“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.