SCHEMBL5989548

SCHEMBL5989548

CCc1ccc(OCc2ccccc2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.59
▸ RXRB P28702 1/20 0.59
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ FOLH1 Q04609 1/20 0.53
▸ TP53 P04637 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ OPRM1 P35372 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ OPRL1 P41146 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ FFAR4 Q5NUL3 2/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ CHRM4 P08173 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ ADRB3 P13945 1/20 0.50

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
SCHEMBL23358421 0.87 PARP10 (0.50) RXRARXRBNPC1RAB9AKMT2A
SCHEMBL5989500 0.87 NPC1 (0.56) RXRARXRBNPC1RAB9AKMT2A
SCHEMBL20085626 0.87 RXRA (0.50) RXRARXRBNPC1RAB9AKMT2A
SCHEMBL8782089 0.87 RXRA (0.50) RXRARXRBNPC1RAB9AKMT2A
SCHEMBL1368181 0.85 TP53 (0.63) NPC1RAB9AFOLH1TP53HTT
SCHEMBL2552269 0.85 FOLH1 (0.53) FOLH1TP53HTTFFAR4NR4A2
SCHEMBL5988399 0.84 TP53 (0.56) NPC1RAB9AKMT2AFOLH1TP53
SCHEMBL29215741 0.84 HCAR2 (0.59) NPC1RAB9AFOLH1TP53HTT
SCHEMBL13870541 0.84 FFAR1 (0.56) FOLH1TP53HTTFFAR4FFAR1
Methane SCHEMBL10567951 0.84 FOLH1 (0.52) FOLH1TP53HTTFFAR4NR4A2

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-20060030565-A1 Amide derivatives and nociceptin antagonists JAPAN TOBACCO INC. 2006-02-09 — — US disclosed
US-6903094-B2 Amide derivatives and nociceptin antagonists JAPAN TABACCO, INC. (JP) 2005-06-07 — — US disclosed
US-20030055087-A1 Amide derivatives and nociceptin antagonists JAPAN TOBACCO INC. 2003-03-20 — — US disclosed
US-6410561-B1 ANALGESICS JAPAN TOBACCO INC. (JP) 2002-06-25 — — US disclosed
EP-1072263-A1 AMIDE DERIVATIVES AND NOCICEPTIN ANTAGONISTS JAPAN TOBACCO INC. (JP) 2001-01-31 — — EP 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 (2 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-20030055087-A1 Amide derivatives and nociceptin antagonists OPRL1, OPRD1, OPRK1 RXRA 2262/4885RXRB 2139/4885NPC1 4136/4885
US-20060030565-A1 Amide derivatives and nociceptin antagonists OPRL1, OPRD1, OPRM1 RXRA 2046/4885RXRB 1884/4885NPC1 4418/4885

“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.

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