SCHEMBL10022399

SCHEMBL10022399

CC(C)c1cc2cccc(O)c2cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
PLAU P00749 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
CYP1A2 P05177 4/20 0.43
CYP3A4 P08684 4/20 0.43
MAPT P10636 3/20 0.43
CYP2C19 P33261 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 3/20 0.43
SLC6A2 P23975 2/20 0.43
HTR2B P41595 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL21119018 0.92 GABRA1 (0.47) GRIN2DGRIN2AGRIN2BGRIN2CGABRA1
SCHEMBL2964707 0.85 CYP1A2 (0.48) GABRA1GABRB2CYP1A2CYP3A4MAPT
SCHEMBL7048770 0.85 HSD17B1 (0.47) GRIN2DGRIN2AGRIN2BGRIN2CGABRA1
SCHEMBL6400171 0.79 GABRA1 (0.54) GABRA1GABRB2CYP1A2CYP3A4MAPT
SCHEMBL8606466 0.78 GABRA1 (0.50) GRIN2DGRIN2AGRIN2BGRIN2CGABRA1
SCHEMBL7793914 0.77 GRIN2D (0.61) GRIN2DGRIN2AGRIN2BGRIN2CPLAU
SCHEMBL29857010 0.76 CYP1A2 (0.62) GRIN2DGRIN2AGRIN2BGRIN2CPLAU
SCHEMBL2115683 0.76 CYP1A2 (0.62) GRIN2DGRIN2AGRIN2BGRIN2CPLAU
SCHEMBL16169461 0.76 GABRA1 (0.50) GABRA1GABRB2CYP1A2CYP3A4MAPT
SCHEMBL430311 0.74 CYP1A2 (0.59) GRIN2DGRIN2AGRIN2BGRIN2CPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946188-B2 Anti-microbial agents and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-02-03 US disclosed
US-8853031-B2 Resist underlayer film composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-10-07 US disclosed
US-20140024611-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-01-23 US disclosed
US-8461128-B2 Anti-microbial agents and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-11 US disclosed
US-20120184103-A1 RESIST UNDERLAYER FILM COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-07-19 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20090170805-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 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 (3 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-20140024611-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF ACAT1, ACAT2, APEH GRIN2D 4171/4885GRIN2A 4161/4885GRIN2B 4583/4885
US-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA GRIN2D 4562/4885GRIN2A 4052/4885GRIN2B 3556/4885
US-20090170805-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF ACAT1, ACAT2, APEH GRIN2D 4171/4885GRIN2A 4161/4885GRIN2B 4583/4885

“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.