SCHEMBL774628

SCHEMBL774628

C=CCc1cc(Oc2ccccc2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.54
GABRB2 P47870 5/20 0.54
POLB P06746 2/20 0.47
AKR1B1 P15121 2/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
ALOX5 P09917 1/20 0.44
GABRB1 P18505 1/20 0.44
RXRA P19793 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
LTA4H P09960 3/20 0.44
NR1H2 P55055 1/20 0.44

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
SCHEMBL1951863 0.92 GABRA1 (0.63) GABRA1GABRB2POLBAKR1B1MEN1
SCHEMBL5208440 0.86 GABRA1 (0.53) GABRA1GABRB2POLBAKR1B1MEN1
SCHEMBL5972997 0.86 GABRA1 (0.53) GABRA1GABRB2POLBAKR1B1MEN1
SCHEMBL3550152 0.86 GABRA1 (0.53) GABRA1GABRB2POLBAKR1B1MEN1
SCHEMBL9445337 0.86 AKR1C3 (0.56) GABRA1GABRB2POLBAKR1B1KMT2A
Diphenylether SCHEMBL27761425 0.85 GABRA1 (0.46) GABRA1GABRB2POLBAKR1B1GAA
SCHEMBL1821608 0.84 LTA4H (0.44) MEN1KMT2AGAALTA4HNR1H2
SCHEMBL8635378 0.83 LTA4H (0.51) GABRA1GABRB2POLBAKR1B1MEN1
SCHEMBL9092426 0.83 GABRA1 (0.50) GABRA1GABRB2POLBAKR1B1MEN1
SCHEMBL29106728 0.82 MEN1 (0.41) MEN1KMT2AGAAMAPTLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9700851-B2 Phenol crosslink for sensor membrane WAVEFORM TECHNOLOGIES, INC. (US) 2017-07-11 US disclosed
US-9700851-B2 Phenol crosslink for sensor membrane WAVEFORM TECHNOLOGIES, INC. (US) 2017-07-11 US disclosed
US-9505700-B2 High refractive index (meth) acrylates COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-29 US disclosed
EP-2864285-B1 HIGH REFRACTIVE INDEX (METH)ACRYLATES COUNCIL SCIENT IND RES (IN) 2016-10-19 EP disclosed
US-20150321991-A1 HIGH REFRACTIVE INDEX (METH) ACRYLATES COUNCIL SCIENT IND RES (IN) 2015-11-12 US disclosed
EP-2864285-A1 HIGH REFRACTIVE INDEX (METH) ACRYLATES Council of Scientific & Industrial Research (IN) 2015-04-29 EP disclosed
WO-2013190575-A1 HIGH REFRACTIVE INDEX (METH) ACRYLATES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-12-27 WO disclosed
US-20120067734-A1 PHENOL CROSSLINK FOR SENSOR MEMBRANE BAYER HEALTHCARE LLC (US) 2012-03-22 US disclosed
US-20120067734-A1 PHENOL CROSSLINK FOR SENSOR MEMBRANE BAYER HEALTHCARE LLC (US) 2012-03-22 US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-6160000-A Antidiabetic agents based on aryl and heteroarylacetic acids MERCK & CO., INC. (US) 2000-12-12 US disclosed
EP-1040102-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2000-10-04 EP disclosed
US-6090839-A REDUCING TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US disclosed
US-6008237-A POTENT AGONISTS OF PEROXIDSOME PROLIFERATOR ACTIVATED RECEPTOR; FOR CONTROLLING OR PREVENTING OF DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA, HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS, OBESITY, VASCULAR RESTENOSIS MERCK & CO., INC. (US) 1999-12-28 US disclosed
EP-0948327-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-10-13 EP disclosed
WO-1999032465-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 1999-07-01 WO disclosed
WO-1998027974-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1998-07-02 WO disclosed
US-4465855-A ANTIREUMATIC & ANTIINFLAMMATORIES CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1984-08-14 US disclosed
US-4385004-A Esters of ortho-allylphenol useful for the preparation of arylacetic acid derivatives CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1983-05-24 US disclosed
US-4317920-A ANTIRHEUMATIC AGENTS, ANTIINFLAMMATORY AGENTS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1982-03-02 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-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA GABRA1 580/4885GABRB2 340/4885POLB 2592/4885
US-20150321991-A1 HIGH REFRACTIVE INDEX (METH) ACRYLATES MKI67, ACR, VIM GABRA1 1102/4885GABRB2 2628/4885POLB 3916/4885

“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.