SCHEMBL3717467

SCHEMBL3717467

CCOc1ccc(O)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.54
TAS1R3 Q7RTX0 3/20 0.47
TAS1R1 Q7RTX1 3/20 0.47
CALM1 P0DP23 1/20 0.45
LTA4H P09960 1/20 0.44
HTT P42858 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL29756063 1.00 ESR1 (0.54) ESR1TAS1R3TAS1R1CALM1LTA4H
SCHEMBL14747883 0.84 ESR1 (0.49) ESR1LTA4HHTTALDH1A1HSD17B10
SCHEMBL1186397 0.83 RECQL (0.46) ESR1CALM1LTA4HCA12CA1
SCHEMBL3026188 0.83 CALM1 (0.51) CALM1LTA4HALDH1A1LMNACYP3A4
SCHEMBL8864262 0.82 ESR1 (0.59) ESR1LTA4HALDH1A1NPC1RAB9A
SCHEMBL14451288 0.82 ESR1 (0.38) ESR1CYP3A4TSHRRECQLMAPK1
SCHEMBL13957903 0.82 ESR1 (0.38) ESR1CYP3A4TSHRRECQLMAPK1
SCHEMBL29071684 0.82 CYP3A4 (0.41) ESR1CYP3A4KDM4EMAPK1
SCHEMBL11071449 0.81 ESR1 (0.58) ESR1LTA4H
SCHEMBL1477520 0.81 PDE4A (0.49) ESR1CALM1LTA4HCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178172-A2 COMPOSITIONS AND METHODS RELATED TO THE SIMULTANEOUS MANUFACTURE AND PURIFICATION OF FLAVOR AND FRAGRANCE MOLECULES Natural Extraction Systems, LLC (US) 2023-09-21 WO claimed
WO-2023178172-A2 COMPOSITIONS AND METHODS RELATED TO THE SIMULTANEOUS MANUFACTURE AND PURIFICATION OF FLAVOR AND FRAGRANCE MOLECULES Natural Extraction Systems, LLC (US) 2023-09-21 WO disclosed
US-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2023-07-06 US disclosed
EP-2903991-B1 ANTI-FIBROTIC PYRIDINONES INTERMUNE INC (US) 2020-09-16 EP disclosed
US-10544161-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2020-01-28 US disclosed
US-20190321343-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2019-10-24 US disclosed
US-10376497-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2019-08-13 US disclosed
US-20190144467-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2019-05-16 US disclosed
US-10233195-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2019-03-19 US disclosed
US-20180064692-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2018-03-08 US disclosed
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2014-04-17 US disclosed
US-8518997-B2 4-(phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2013-08-27 US disclosed
US-8450371-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA, N.V. (BE) 2013-05-28 US disclosed
US-20120322875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2012-12-20 US disclosed
US-8258177-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA, N.V. (BE) 2012-09-04 US disclosed
US-20120122988-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2012-05-17 US disclosed
US-20110294875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2011-12-01 US disclosed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
EP-0917528-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS Astra Aktiebolag (SE) 1999-05-26 EP disclosed
WO-1998001422-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1998-01-15 WO 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 (11 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-20120122988-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD ESR1 1585/4885TAS1R3 1456/4885TAS1R1 2062/4885
US-20180064692-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 ESR1 4197/4885TAS1R3 4853/4885TAS1R1 4856/4885
US-10544161-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 ESR1 4197/4885TAS1R3 4853/4885TAS1R1 4856/4885
US-20190321343-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 ESR1 4197/4885TAS1R3 4853/4885TAS1R1 4856/4885
US-20120322875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD ESR1 1565/4885TAS1R3 1378/4885TAS1R1 1840/4885
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ESR1 4197/4885TAS1R3 4853/4885TAS1R1 4856/4885
US-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD ESR1 1585/4885TAS1R3 1456/4885TAS1R1 2062/4885
US-10233195-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 ESR1 4197/4885TAS1R3 4853/4885TAS1R1 4856/4885
US-20110294875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD ESR1 1565/4885TAS1R3 1378/4885TAS1R1 1840/4885
US-10376497-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 ESR1 4197/4885TAS1R3 4853/4885TAS1R1 4856/4885
US-20190144467-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ESR1 4197/4885TAS1R3 4853/4885TAS1R1 4856/4885

“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.