SCHEMBL5036095

SCHEMBL5036095

COc1cc(-c2ccccc2)ccc1CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.52
HSD17B10 Q99714 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
PTGS1 P23219 2/20 0.49
HTT P42858 2/20 0.49
ABCC4 O15439 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
MMP12 P39900 2/20 0.48
CAMK2A Q9UQM7 1/20 0.48
AMY1A P0DUB6 1/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47
MMP16 P51512 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
SCHEMBL6277682 0.84 RXRA (0.51) HSD17B10PTGS1HTTABCC4LMNA
SCHEMBL11724762 0.84 KDM4E (0.44) NR1H4CD274HTTLMNAGAA
SCHEMBL21438503 0.84 RECQL (0.46) LMNAGAA
SCHEMBL17859653 0.83 HPGD (0.49) HSD17B10CD274HTTLMNAGAA
SCHEMBL6497164 0.81 PDCD1 (0.62) HSD17B10CD274HTTLMNAGAA
SCHEMBL11839396 0.81 CFD (0.47) PTGS1HTTABCC4LMNAGAA
SCHEMBL11842197 0.80 CFD (0.46) PTGS1HTTABCC4LMNAGAA
SCHEMBL155982 0.79 HSD17B10 (0.61) HSD17B10LMNATSHRMEN1KMT2A
SCHEMBL5156156 0.79 PTGS1 (0.59) PTGS1HTTABCC4LMNAGAA
SCHEMBL29431297 0.79 HSD17B10 (0.61) HSD17B10LMNATSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263730-B1 AMINE DERIVATIVES FOR THE TREATMENT OF APOPTOSIS SERONO LAB (CH) 2008-01-09 EP disclosed
WO-2005092062-A2 COMPOUNDS FOR NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2005-10-06 WO disclosed
US-6770656-B2 NEURODEGENERATIVE DISORDERS; ANTIEPILEPTIC AND ANTIISCHEMIC AGENTS; INFERTILITY, CARDIOVASCULAR DISORDERS, RENAL HYPOXIA, HEPATITIS AND AIDS TREATMENT APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2004-08-03 US disclosed
US-20030216427-A1 Amine derivatives for the treatment of apoptosis MERCK SERONO SA (CH) 2003-11-20 US disclosed
EP-1263730-A1 AMINE DERIVATIVES FOR THE TREATMENT OF APOPTOSIS Applied Research Systems ARS Holding N.V. (AN) 2002-12-11 EP disclosed
WO-2001060798-A1 AMINE DERIVATIVES FOR THE TREATMENT OF APOPTOSIS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-08-23 WO disclosed
US-4252817-A ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS; DIURETICS SANDOZ LTD. (CH) 1981-02-24 US disclosed
US-4013690-A ORGANIC COMPOUNDS SANDOZ LTD. (CH) 1977-03-22 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 (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-20030216427-A1 Amine derivatives for the treatment of apoptosis BAD, BAX, BCL2 NR1H4 511/4885HSD17B10 3003/4885CD274 976/4885

“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.