SCHEMBL2263002

SCHEMBL2263002

OCC(O)c1c[c]ccc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AOC3 Q16853 3/20 0.31
TRPA1 O75762 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL3814993 0.84 RIPK1 (0.35) LMNAKDM4EL3MBTL1TRPA1
SCHEMBL3819879 0.82 RIPK1 (0.34) LMNAKDM4EL3MBTL1TRPA1
SCHEMBL10706532 0.82 LMNA (0.33) LMNAKDM4EL3MBTL1AOC3
SCHEMBL27306885 0.82 LMNA (0.57) LMNAKDM4EL3MBTL1AOC3TRPA1
SCHEMBL28074215 0.81 TRPA1 (0.31) TRPA1
SCHEMBL1403749 0.79 EPHX1 (0.41) LMNATSHRCYP3A4KDM4EL3MBTL1
SCHEMBL27785062 0.79 HRH1 (0.41) LMNAAOC3
SCHEMBL1403700 0.79 LMNA (0.39) LMNAKDM4EL3MBTL1AOC3
SCHEMBL353016 0.78
SCHEMBL4986360 0.78 DPP4 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104651476-B Novel nitroreductase substrates 生物梅里埃公司 2020-02-18 CN disclosed
WO-2019071194-A1 HAIR STYLING METHOD AND KIT THEREOF COTY, INC. (US) 2019-04-11 WO disclosed
CN-105814037-A N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase 默克专利股份公司 2016-07-27 CN disclosed
EP-2089384-B1 2-(PIPERIDIN-4-YL)-4-PHENOXY-OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-08-05 EP disclosed
US-7998969-B2 enzyme inhibitors such as 4-[2-(1-Benzyl-piperidin-4-ylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile, used in combination with other viricides, for preventing and treatment of viral infections such as HIV, AIDS and AIDS related diseases ROCHE PALO ALTO LLC (US) 2011-08-16 US disclosed
US-20080146595-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-06-19 US disclosed
US-6979693-B2 Pyrazole derivatives-p38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC (US) 2005-12-27 US disclosed
US-6444696-B1 1-ARYL OR HETEROARYL SUBSTITUTED 5-AMINO-4 CARBONYLPYRAZOLE DERIVATIVES; ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-09-03 US disclosed
US-6376527-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6316466-B1 Pyrazole derivatives P-38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 WO 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 (1 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-20080146595-A1 Non-nucleoside reverse transcriptase inhibitors NQO2, SAMHD1, POLR2A LMNA 3285/4885TSHR 2775/4885CYP3A4 832/4885

“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.