SCHEMBL3292454

SCHEMBL3292454

O=C(O)C/C=C/c1cccc(F)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PAM P19021 1/20 0.65
▸ NFE2L2 Q16236 7/20 0.57
▸ PIN1 Q13526 2/20 0.50
▸ PTGS1 P23219 2/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ NQO2 P16083 1/20 0.49
▸ FBP1 P09467 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP1A1 P04798 1/20 0.45
▸ CYP1B1 Q16678 1/20 0.45
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44

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
SCHEMBL3292458 1.00 PAM (0.65) PAMNFE2L2PIN1PTGS1PTGS2
SCHEMBL23832889 0.82 PAM (0.57) PAMPIN1PTGS1PTGS2MAOB
SCHEMBL1207193 0.81 TBXAS1 (0.52) NFE2L2PIN1PTGS1PTGS2NQO2
SCHEMBL1207196 0.81 TBXAS1 (0.52) NFE2L2PIN1PTGS1PTGS2NQO2
SCHEMBL29166002 0.81 PAM (0.67) PAMFBP1MAOAMAOB
SCHEMBL30817035 0.81 PAM (0.67) PAMFBP1MAOAMAOB
SCHEMBL7612524 0.79 PAM (0.65) PAMCYP1B1MAOAMAOB
SCHEMBL7612527 0.79 PAM (0.65) PAMCYP1B1MAOAMAOB
SCHEMBL9294589 0.79 PAM (0.65) PAMFBP1
SCHEMBL582727 0.79 PAM (1.00) PAMCYP1B1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723105-B1 BICYCLIC SUBSTITUTED INDOLE-DERIVATIVE STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2013-05-15 — — EP disclosed
EP-1723105-B1 BICYCLIC SUBSTITUTED INDOLE-DERIVATIVE STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2013-05-15 — — EP disclosed
US-7728150-B2 Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2010-06-01 — — US disclosed
US-7728150-B2 Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2010-06-01 — — US disclosed
US-7728150-B2 Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2010-06-01 — — US disclosed
US-20070185161-A1 Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2007-08-09 — — US disclosed
US-20070185161-A1 Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2007-08-09 — — US disclosed
US-20070185161-A1 Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2007-08-09 — — US disclosed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 — — WO disclosed
EP-1723105-A1 BICYCLIC SUBSTITUTED INDOLE-DERIVATIVE STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-11-22 — — EP disclosed
WO-2005092854-A1 BICYCLIC SUBSTITUTED INDOLE-DERIVATIVE STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-06 — — WO disclosed
WO-2005092854-A1 BICYCLIC SUBSTITUTED INDOLE-DERIVATIVE STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-06 — — WO disclosed
US-5607953-A ANTIISCHEMIC AGENTS EISAI CO., LTD. (JP) 1997-03-04 — — US disclosed
EP-0344577-B1 Butenoic or propenoic acid derivatives EISAI CO LTD (JP) 1996-10-09 — — EP disclosed
US-5382595-A Antiischemic agents EISAI CO., LTD. (JP) 1995-01-17 — — US disclosed
US-5177089-A Antiischemic agent, vasodilator EISAI CO., LTD. (JP) 1993-01-05 — — US disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 — — 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 (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-20070185161-A1 Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR1H2 PAM 2130/4885NFE2L2 932/4885PIN1 3011/4885

“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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