SCHEMBL63100

SCHEMBL63100

COC(=O)CCc1cccc(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
MTNR1A P48039 2/20 0.60
MTNR1B P49286 2/20 0.60
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
CHRM3 P20309 1/20 0.58
RAB9A P51151 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
CYP1A2 P05177 1/20 0.55

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
Phenyl Propionic Acid SCHEMBL28549079 0.91 RAB9A (0.60) HDAC1HDAC6MTNR1AMTNR1BRAB9A
SCHEMBL28262492 0.90 HDAC1 (0.66) HDAC1HDAC6MTNR1AMTNR1BCHRM2
Phenyl Propionic Acid SCHEMBL28910944 0.90 RAB9A (0.59) HDAC1HDAC6MTNR1AMTNR1BRAB9A
SCHEMBL12698686 0.89 HDAC1 (0.72) HDAC1HDAC6MTNR1AMTNR1BCHRM2
SCHEMBL3145595 0.88 HDAC1 (0.75) HDAC1HDAC6MTNR1AMTNR1BCHRM2
SCHEMBL7332474 0.86 TAAR1 (0.61) HDAC1HDAC6MTNR1AMTNR1BCHRM2
SCHEMBL22070746 0.86 SMPD1 (0.60) RAB9A
SCHEMBL4644508 0.86 SIRT2 (0.48) HDAC1HDAC6MTNR1AMTNR1BCHRM2
SCHEMBL1802183 0.86 ALDH1A1 (0.56) HDAC1HDAC6MTNR1AMTNR1BTAAR1
SCHEMBL9804265 0.86 FFAR1 (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111689855-A Method for improving conversion rate of preparing methyl cinnamate 李德祥 2020-09-22 CN claimed
WO-2002015691-A1 USE FOR CONIFER SAPLING PROTECTION AGAINST INSECT ATTACK ROBIGUS AB (SE) 2002-02-28 WO claimed
EP-3782996-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-04-10 EP disclosed
US-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 US disclosed
US-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 US disclosed
CN-108112251-B NRF2 modulators 葛兰素史克知识产权发展有限公司 2021-03-05 CN disclosed
WO-2021032218-A1 HETEROCYCLIC THR-β RECEPTOR AGONIST COMPOUND AND PREPARATION METHOD AND USE THEREFOR 苏州闻天医药科技有限公司 2021-02-25 WO disclosed
EP-3782996-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-02-24 EP disclosed
EP-3782996-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-02-24 EP disclosed
EP-3307739-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-10-07 EP disclosed
EP-3307739-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-10-07 EP disclosed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO disclosed
EP-0874829-A1 AMINO ACID DERIVATIVES, THE PREPARATION AND USE THEREOF AS ENDOTHELIN ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1998-11-04 EP disclosed
WO-1997012878-A1 AMINO ACID DERIVATIVES, THE PREPARATION AND USE THEREOF AS ENDOTHELIN ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1997-04-10 WO disclosed
US-5312828-A Substituted imidazoles having angiotensin II receptor blocking activity SMITHKLINE BEECHAM CORPORATION A CORP. OF PENNSYLVANIA 1994-05-17 US disclosed
EP-0403158-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed
US-4177197-A Cyclization substrates and 7α-substituted 19-norsteroid derivatives AKZONA INC. (US) 1979-12-04 US disclosed
US-4117234-A DERIVATIVES OF 2-(6-PHENYLHEX-3-ENYL)-CYCLOPENT-2-EN-1-OL THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1978-09-26 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 (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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP HDAC1 1404/4885HDAC6 483/4885MTNR1A 2086/4885
US-20230047296-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 HDAC1 878/4885HDAC6 427/4885MTNR1A 46/4885

“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.