SCHEMBL972021

SCHEMBL972021

CCOC(=O)C1CCc2cc(OC)ccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP24A1 Q07973 6/20 0.53
▸ CYP26A1 O43174 3/20 0.53
▸ CYP27A1 Q02318 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ CYP19A1 P11511 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ DRD2 P14416 2/20 0.45
▸ HTR2A P28223 2/20 0.45
▸ HTR2C P28335 2/20 0.45
▸ HTR2B P41595 2/20 0.45
▸ SIGMAR1 Q99720 2/20 0.45
▸ METAP1 P53582 2/20 0.44
▸ PPARG P37231 1/20 0.43

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
SCHEMBL7290713 1.00 CYP24A1 (0.53) CYP24A1CYP26A1CYP27A1ALDH1A1KDM4E
SCHEMBL8435265 0.90 ALDH1A1 (0.56) CYP24A1CYP26A1CYP27A1ALDH1A1KDM4E
SCHEMBL9235535 0.90 MAPT (0.52) CYP24A1CYP26A1CYP27A1ALDH1A1KDM4E
SCHEMBL9233137 0.88 MAPT (0.50) CYP24A1CYP26A1CYP27A1ALDH1A1KDM4E
SCHEMBL19128297 0.88 CYP24A1 (0.51) CYP24A1CYP26A1CYP27A1ALDH1A1KDM4E
SCHEMBL4730776 0.87 ALDH1A1 (0.70) CYP24A1CYP26A1CYP27A1ALDH1A1KDM4E
SCHEMBL8921371 0.87 CYP24A1 (0.54) CYP24A1CYP26A1CYP27A1ALDH1A1KDM4E
SCHEMBL14548463 0.87 THRA (0.55) CYP24A1CYP26A1CYP27A1ALDH1A1KDM4E
SCHEMBL9233039 0.87 THRA (0.50) CYP24A1CYP26A1CYP27A1ALDH1A1KDM4E
SCHEMBL8050780 0.85 MEN1 (0.55) CYP24A1CYP26A1ALDH1A1KDM4EMEN1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 — — US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 — — US disclosed
WO-2014113485-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2014-07-24 — — WO disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 — — US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 — — US disclosed
US-20120178781-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2012-07-12 — — US disclosed
US-20120178781-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2012-07-12 — — US disclosed
US-8173678-B2 Kappa opioid receptor ligands RESEARCH TRIANGLE INSTITUTE (US) 2012-05-08 — — US disclosed
US-8173678-B2 Kappa opioid receptor ligands RESEARCH TRIANGLE INSTITUTE (US) 2012-05-08 — — US disclosed
EP-1848275-B1 KAPPA OPIOID RECEPTOR LIGANDS RES TRIANGLE INST (US) 2012-05-02 — — EP disclosed
US-4207241-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTIPRURITIC AGENTS SYNTEX CORPORATION (US) 1980-06-10 — — US disclosed
US-4097674-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTIPRURITIC AGENTS, ANALGESICS SYNTEX CORPORATION (US) 1978-06-27 — — US disclosed
US-4051233-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1977-09-27 — — US disclosed
US-4048330-A Compositions containing 2-(6'-substituted-2'-naphthyl)acetic acid esters used for treating inflammation, pain or pyrexia SYNTEX CORPORATION (US) 1977-09-13 — — US disclosed
US-4009197-A 2-(6-Substituted-2'-naphthyl) acetic acid derivatives and the salts and esters thereof SYNTEX CORPORATION (PM) 1977-02-22 — — US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 — — US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 — — US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 — — US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 — — US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 — — 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 (3 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 CYP24A1 1019/4885CYP26A1 2897/4885CYP27A1 554/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 CYP24A1 1019/4885CYP26A1 2897/4885CYP27A1 554/4885
US-20120178781-A1 KAPPA OPIOID RECEPTOR LIGANDS OPRK1, OPRD1, OPRM1 CYP24A1 2645/4885CYP26A1 1476/4885CYP27A1 1410/4885

“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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