SCHEMBL6947591

SCHEMBL6947591

C=C(C(=O)OC)c1ccccc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.61
HSD17B10 Q99714 8/20 0.61
CFTR P13569 1/20 0.61
KDM4E B2RXH2 11/20 0.44
HPGD P15428 6/20 0.44
RCE1 Q9Y256 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 3/20 0.44
POLB P06746 2/20 0.42
GLA P06280 1/20 0.42
RAB9A P51151 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CTSD P07339 1/20 0.40

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
SCHEMBL28192380 0.81 ALDH1A1 (0.47) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL27827028 0.81 ALDH1A1 (0.65) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL27473286 0.79 LMNA (0.60) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL27761128 0.79 ALDH1A1 (0.41) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL1426459 0.79 NPC1 (0.46) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL6237542 0.79 TSHR (0.41) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL12157631 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL6558492 0.78 CTSD (0.56) ALDH1A1HSD17B10HPGDGAAMAPT
SCHEMBL3304359 0.78 RAB9A (0.44) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL28002678 0.78 POLB (0.50) ALDH1A1HPGDMAPTTSHRPOLB

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-11136349-B2 Decarboxylative conjugate additions and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-10-05 US disclosed
CN-107531660-A α cinnamide compounds and composition as HDAC8 inhibitor 福马治疗股份有限公司 2018-01-02 CN disclosed
EP-1335898-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS Prolifix Limited (GB) 2003-08-20 EP disclosed
WO-2002026696-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS PROLIFIX LIMITED (GB) 2002-04-04 WO disclosed
US-6326510-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-12-04 US disclosed
CN-1022187-C Method for preparation of tricyclic compounds FUJISAWA PHARMACEUTICAL CO (JP) 1993-09-22 CN disclosed
CN-1040981-A Tricyclic compound FUJISAWA PHARMACEUTICAL CO (JP) 1990-04-04 CN 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-11136349-B2 Decarboxylative conjugate additions and applications thereof PTMS, DNPEP, QPCT ALDH1A1 436/4885HSD17B10 1573/4885CFTR 4095/4885

“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.