SCHEMBL10307751

SCHEMBL10307751

COc1ccc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)cc1O

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.89
OR51E2 Q9H255 1/20 0.89
CYP3A4 P08684 5/20 0.64
CYP1A2 P05177 4/20 0.64
CYP2C8 P10632 3/20 0.64
CYP2C9 P11712 3/20 0.64
CYP2B6 P20813 3/20 0.64
CYP2C19 P33261 3/20 0.64
CYP19A1 P11511 1/20 0.59
TSHR P16473 2/20 0.59
NFKB1 P19838 1/20 0.59
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.57
APEX1 P27695 1/20 0.57
KMT2A Q03164 1/20 0.57
TRPV1 Q8NER1 2/20 0.57
TAAR1 Q96RJ0 2/20 0.56
MAPK1 P28482 1/20 0.56
TUBB4A P04350 1/20 0.56
TUBB P07437 1/20 0.56

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
Tetrahydrocurcumin SCHEMBL29370299 0.94 ALOX5 (1.00) ALOX5OR51E2CYP3A4CYP1A2CYP2C8
Tetrahydrocurcumin SCHEMBL284877 0.94 ALOX5 (1.00) ALOX5OR51E2CYP3A4CYP1A2CYP2C8
Tetrahydrocurcumin SCHEMBL29372158 0.94 ALOX5 (1.00) ALOX5OR51E2CYP3A4CYP1A2CYP2C8
SCHEMBL6339281 0.94 ALOX5 (0.77) ALOX5OR51E2CYP3A4CYP1A2CYP2C8
SCHEMBL10307817 0.93 ALOX5 (0.91) ALOX5OR51E2CYP3A4CYP1A2CYP2C8
SCHEMBL10307534 0.93 ALOX5 (0.76) ALOX5OR51E2CYP3A4CYP1A2CYP2C8
SCHEMBL10307533 0.93 ALOX5 (0.91) ALOX5OR51E2CYP3A4CYP1A2CYP2C8
SCHEMBL10307813 0.93 ALOX5 (0.76) ALOX5OR51E2CYP3A4CYP1A2CYP2C8
SCHEMBL10307535 0.89 ALOX5 (0.84) ALOX5OR51E2CYP3A4CYP1A2CYP2C8
SCHEMBL645127 0.89 ALOX5 (0.89) ALOX5OR51E2CYP3A4CYP1A2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3763419-A1 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES Anji Pharma (US) LLC (US) 2021-01-13 EP disclosed
EP-2661266-B1 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ANJI PHARMA (US) LLC (US) 2020-09-16 EP disclosed
US-10610500-B2 Chemosensory receptor ligand-based therapies ANJI PHARMA (US) LLC (US) 2020-04-07 US disclosed
US-20190038576-A1 Chemosensory Receptor Ligand-Based Therapies ANJI PHARMACEUTICALS INC. 2019-02-07 US disclosed
US-9962344-B2 Chemosensory receptor ligand-based therapies ELCELYX THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-20170020829-A1 Chemosensory Receptor Ligand-Based Therapies ANJI PHARMACEUTICALS INC. 2017-01-26 US disclosed
US-9463170-B2 Chemosensory receptor ligand-based therapies ELCELYX THERAPEUTICS, INC. (US) 2016-10-11 US disclosed
US-20150265555-A1 Chemosensory Receptor Ligand-Based Therapies ANJI PHARMACEUTICALS INC. 2015-09-24 US disclosed
US-9050292-B2 Chemosensory receptor ligand-based therapies ELCELYX THERAPEUTICS, INC. (US) 2015-06-09 US disclosed
US-20140030332-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2014-01-30 US disclosed
EP-2517716-A1 Oral compositions containing botanical extracts Colgate-Palmolive Company (US) 2012-10-31 EP disclosed
US-20120244086-A1 ORAL COMPOSITIONS CONTAINING EXTRACTS OF ZINGIBER OFFICINALE AND RELATED METHODS COLGATE-PALMOLIVE COMPANY (US) 2012-09-27 US disclosed
US-20120244085-A1 ORAL COMPOSITIONS CONTAINING EXTRACTS OF MYRISTICA FRAGRANS AND RELATED METHODS COLGATE-PALMOLIVE COMPANY (US) 2012-09-27 US disclosed
US-20120244087-A1 ORAL COMPOSITIONS CONTAINING A COMBINATION OF NATURAL EXTRACTS AND RELATED METHODS COLGATE-PALMOLIVE COMPANY (US) 2012-09-27 US disclosed
US-20120237455-A1 ORAL COMPOSITIONS CONTAINING EXTRACTS OF ZIZYPHUS JOAZEIRO AND RELATED METHODS COLGATE-PALMOLIVE COMPANY (US) 2012-09-20 US disclosed
US-20120237456-A1 ORAL COMPOSITIONS CONTAINING EXTRACTS OF GARCINIA MANGOSTANA L. AND RELATED METHODS COLGATE-PALMOLIVE COMPANY (US) 2012-09-20 US disclosed
US-20120177730-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2012-07-12 US disclosed
WO-2011068815-A1 ORAL COMPOSITIONS CONTAINING EXTRACTS OF ZIZYPHUS JOAZEIRO AND RELATED METHODS COLGATE-PALMOLIVE COMPANY (US) 2011-06-09 WO disclosed
US-20090087501-A1 Oral Compositions Containing Botanical Extracts COLGATE-PALMOLIVE COMPANY (US) 2009-04-02 US disclosed
US-20090087501-A1 Oral Compositions Containing Botanical Extracts COLGATE-PALMOLIVE COMPANY (US) 2009-04-02 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 (12 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-20120244087-A1 ORAL COMPOSITIONS CONTAINING A COMBINATION OF NATURAL EXTRACTS AND RELATED METHODS GANC, DNM1, LIPC ALOX5 94/4885OR51E2 222/4885CYP3A4 678/4885
US-20090087501-A1 Oral Compositions Containing Botanical Extracts MAVS, OPA1, OGG1 ALOX5 394/4885OR51E2 3305/4885CYP3A4 1723/4885
US-20120177730-A1 Chemosensory Receptor Ligand-Based Therapies TAS1R2, TAS2R1, GPR119 ALOX5 2867/4885OR51E2 130/4885CYP3A4 3294/4885
US-10610500-B2 Chemosensory receptor ligand-based therapies TAS1R2, TAS2R1, GPR119 ALOX5 2867/4885OR51E2 130/4885CYP3A4 3294/4885
US-20150265555-A1 Chemosensory Receptor Ligand-Based Therapies TAS1R2, TAS2R1, GPR119 ALOX5 2867/4885OR51E2 130/4885CYP3A4 3294/4885
US-20120237456-A1 ORAL COMPOSITIONS CONTAINING EXTRACTS OF GARCINIA MANGOSTANA L. AND RELATED METHODS GLA, ALPP, LIPA ALOX5 831/4885OR51E2 3164/4885CYP3A4 1537/4885
US-20170020829-A1 Chemosensory Receptor Ligand-Based Therapies TAS1R2, TAS2R1, GPR119 ALOX5 2867/4885OR51E2 130/4885CYP3A4 3294/4885
US-20120244086-A1 ORAL COMPOSITIONS CONTAINING EXTRACTS OF ZINGIBER OFFICINALE AND RELATED METHODS SI, FABP2, ALPI ALOX5 148/4885OR51E2 880/4885CYP3A4 335/4885
US-20120237455-A1 ORAL COMPOSITIONS CONTAINING EXTRACTS OF ZIZYPHUS JOAZEIRO AND RELATED METHODS ALPP, HBZ, ZYX ALOX5 133/4885OR51E2 515/4885CYP3A4 129/4885
US-20190038576-A1 Chemosensory Receptor Ligand-Based Therapies TAS1R2, TAS2R1, GPR119 ALOX5 2867/4885OR51E2 130/4885CYP3A4 3294/4885
US-20120244085-A1 ORAL COMPOSITIONS CONTAINING EXTRACTS OF MYRISTICA FRAGRANS AND RELATED METHODS DNM1, MARCKS, DNM2 ALOX5 263/4885OR51E2 3398/4885CYP3A4 2570/4885
US-20140030332-A1 Chemosensory Receptor Ligand-Based Therapies TAS1R2, TAS2R1, GPR119 ALOX5 2867/4885OR51E2 130/4885CYP3A4 3294/4885

“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.