SCHEMBL71773

SCHEMBL71773

Cc1ccc(C(N)=O)cc1OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.59
RXRA P19793 2/20 0.58
RXRB P28702 1/20 0.58
RXRG P48443 1/20 0.58
PARP1 P09874 1/20 0.55
SMPD1 P17405 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KDM4E B2RXH2 1/20 0.54
OPRK1 P41145 1/20 0.53
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
FFAR4 Q5NUL3 1/20 0.50
ATM Q13315 1/20 0.50
PTGER1 P34995 1/20 0.49
SGMS2 Q8NHU3 1/20 0.49
BRD4 O60885 1/20 0.48

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
SCHEMBL69666 0.88 RXRA (0.70) RXRARXRBRXRGNPC1HPGD
SCHEMBL17354710 0.88 BRD4 (0.61) SMPD1HDAC1HDAC8HDAC6KDM4E
SCHEMBL34465358 0.86 PARP10 (0.64) PARP10RXRAPARP1SMPD1HDAC1
SCHEMBL4278858 0.86 PARP10 (0.64) PARP10RXRAPARP1SMPD1HDAC1
SCHEMBL71526 0.85 RXRA (0.58) RXRARXRBRXRGSMPD1HDAC1
SCHEMBL4270566 0.85 SMPD1 (0.73) PARP10RXRASMPD1HDAC1HDAC8
SCHEMBL69503 0.84 RXRA (0.57) RXRARXRBRXRGSMPD1HDAC1
SCHEMBL16929834 0.84 LMNA (0.59) RXRARXRBRXRGSMPD1HDAC1
SCHEMBL31241237 0.84 LMNA (0.59) RXRARXRBRXRGSMPD1HDAC1
SCHEMBL4278415 0.84 NPC1 (0.73) RXRASMPD1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
CN-102036558-A Novel piperidine derivatives as stearoyl-CoA desaturase inhibitors FOREST LAB HOLDINGS LTD 2011-04-27 CN disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 PARP10 524/4885RXRA 1461/4885RXRB 1194/4885

“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.