SCHEMBL10188554

SCHEMBL10188554

CCOC(=O)C=C1CCC(c2ccc(O)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 12/20 1.00
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ESR1 P03372 3/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
OPRM1 P35372 1/20 0.38

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
SCHEMBL18257860 0.90 ESR2 (0.82) ESR2JAK2JAK1KDM4EALDH1A1
SCHEMBL1171537 0.87 ESR2 (0.78) ESR2JAK2JAK1KDM4EALDH1A1
SCHEMBL28123495 0.85 ESR2 (0.74) ESR2JAK2JAK1KDM4EALDH1A1
SCHEMBL382783 0.84 ESR2 (0.72) ESR2CA12CA1CA2CA7
SCHEMBL3302628 0.83 ESR2 (0.71) ESR2JAK2JAK1ALDH1A1SMN1; SMN2
SCHEMBL17730173 0.83 ESR2 (0.69) ESR2JAK2JAK1CA12CA1
SCHEMBL19853819 0.82 ESR2 (0.70) ESR2JAK2JAK1
SCHEMBL4335569 0.82 ESR2 (0.69) ESR2ALDH1A1SMN1; SMN2
SCHEMBL5534578 0.81 ESR2 (0.67) ESR2ESR1CYP3A4CYP2C9
SCHEMBL13009589 0.80 ESR2 (0.67) ESR2JAK2JAK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11932601-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2024-03-19 US disclosed
EP-3071541-B1 SUBSTITUTED (4'-HYDROXYPHENYL)CYCLOALKANE COMPOUNDS AND USES THEREOF AS SELECTIVE AGONISTS OF THE ESTROGEN RECEPTOR BETA ISOFORM UNIV MARQUETTE (US) 2023-06-07 EP disclosed
US-20220274926-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2022-09-01 US disclosed
US-11242319-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2022-02-08 US disclosed
US-11242319-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2022-02-08 US disclosed
US-20210340155-A1 Substituted (4-Hydroxyphenyl)Cycloalkane and (4-Hydroxyphenyl)Cycloalkene Compounds and Uses Thereof as Selective Agonists of the Estrogen Receptor Beta Isoform for Enhanced Memory Consolidation CU Ventures, Inc. 2021-11-04 US disclosed
CN-106999450-B Immunomodulator 弗莱塞斯生物科学公司 2021-07-09 CN disclosed
US-10987322-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-10987322-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
EP-3215142-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2021-03-24 EP disclosed
US-20150157611-A1 COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE I ENZYME KAINOS MEDICINE, INC. (KR) 2015-06-11 US disclosed
US-20150157611-A1 COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE I ENZYME KAINOS MEDICINE, INC. (KR) 2015-06-11 US disclosed
CN-104245696-A Compounds as inhibitors of diacylglycerol O-acyltransferase type 1 enzyme KAINOS MEDICINE INC 2014-12-24 CN disclosed
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
WO-2013119040-A1 COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME KAINOS MEDICINE, INC. (KR) 2013-08-15 WO disclosed
WO-2013119040-A1 COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME KAINOS MEDICINE, INC. (KR) 2013-08-15 WO disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 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 (7 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-11242319-B2 Immunoregulatory agents IDO1, IDO2, INMT ESR2 1493/4885JAK2 1134/4885JAK1 1436/4885
US-20210340155-A1 Substituted (4-Hydroxyphenyl)Cycloalkane and (4-Hydroxyphenyl)Cycloalkene Compounds and Uses Thereof as Selective Agonists of the Estrogen Receptor Beta Isoform for Enhanced Memory Consolidation ESR2, GPER1, ESR1 ESR2 1/4885JAK2 3889/4885JAK1 4828/4885
US-20150157611-A1 COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE I ENZYME DGAT1, DGAT2, SOAT1 ESR2 2959/4885JAK2 4042/4885JAK1 3748/4885
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 ESR2 4767/4885JAK2 148/4885JAK1 140/4885
US-11932601-B2 Immunoregulatory agents IDO1, IDO2, INMT ESR2 1493/4885JAK2 1134/4885JAK1 1436/4885
US-20220274926-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT ESR2 1493/4885JAK2 1134/4885JAK1 1436/4885
US-10987322-B2 Immunoregulatory agents IDO1, IDO2, INMT ESR2 1493/4885JAK2 1134/4885JAK1 1436/4885

“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.