SCHEMBL3269864

SCHEMBL3269864

CC1CCc2cc(O)ccc2O1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.61
ESR2 Q92731 4/20 0.61
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
DRD4 P21917 2/20 0.42
OPRK1 P41145 1/20 0.42
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CHRNA7 P36544 2/20 0.41
DPP4 P27487 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
SCHEMBL30513304 1.00 ESR1 (0.61) ESR1ESR2DRD2DRD3DRD4
SCHEMBL9749055 0.86 ESR1 (0.61) ESR1ESR2DRD2DRD3DRD4
SCHEMBL5541364 0.81 TDP1 (0.60) ESR1ESR2BRD4CREBBPTDP1
SCHEMBL634750 0.80 ESR1 (0.68) ESR1ESR2DRD2DRD3DRD4
SCHEMBL18743290 0.80 CREBBP (0.44) ESR1ESR2BRD4CREBBPTDP1
SCHEMBL11926950 0.80 CREBBP (0.44) ESR1ESR2BRD4CREBBPTDP1
SCHEMBL23940440 0.79 TDP1 (0.38) ESR1ESR2DRD2DRD3OPRK1
SCHEMBL8188224 0.79 DRD2 (0.51) ESR1ESR2DRD2DRD3OPRK1
SCHEMBL17321070 0.79 PBRM1 (0.49) ESR1ESR2TDP1
SCHEMBL19188071 0.79 TDP1 (0.38) ESR1ESR2DRD2DRD3OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103462817-A Oral care composition comprising a phenolic compound and antioxidant vitamins and vitamin derivatives COLGATE PALMOLIVE CO 2013-12-25 CN claimed
CN-101111288-A Oral care compositions containing phenolic compounds and antioxidant vitamins and vitamin derivatives COLGATE PALMOLIVE CO (US) 2008-01-23 CN claimed
EP-1817081-A2 ORAL CARE COMPOSITION COMPRISING A PHENOLIC COMPOUND AND ANTIOXIDANT VITAMINS AND VITAMIN DERIVATIVES Colgate-Palmolive Company (US) 2007-08-15 EP claimed
WO-2006060145-A2 ORAL CARE COMPOSITION COMPRISING A PHENOLIC COMPOUND AND ANTIOXIDANT VITAMINS AND VITAMIN DERIVATIVES COLGATE-PALMOLIVE COMPANY (US) 2006-06-08 WO claimed
US-20060120975-A1 Oral care composition comprising a phenolic compound and antioxidant vitamins and vitamin derivatives COLGATE-PALMOLIVE COMPANY 2006-06-08 US claimed
EP-3772975-A1 NOVEL USE OF SUBSTITUTED CHROMAN-6-OLS DSM IP Assets B.V. (NL) 2021-02-17 EP disclosed
US-20210030022-A1 NOVEL USE OF SUBSTITUTED CHROMAN-6-OLS DSM IP ASSETS B.V. (NL) 2021-02-04 US disclosed
WO-2019185894-A1 NOVEL USE OF SUBSTITUTED CHROMAN-6-OLS DSM IP ASSETS B.V. (NL) 2019-10-03 WO disclosed
WO-2019185891-A1 NOVEL USE OF SUBSTITUTED CHROMAN-6-OLS DSM IP ASSETS B.V. (NL) 2019-10-03 WO disclosed
US-9763952-B2 Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives NOVARTIS AG (CH) 2017-09-19 US disclosed
US-9539260-B2 Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives NOVARTIS AG (CH) 2017-01-10 US disclosed
US-20160106753-A1 Dihydro-Benzo-Oxazine and Dihydro-Pyrido-Oxazine Derivatives NOVARTIS AG (CH) 2016-04-21 US disclosed
WO-2006060145-A2 ORAL CARE COMPOSITION COMPRISING A PHENOLIC COMPOUND AND ANTIOXIDANT VITAMINS AND VITAMIN DERIVATIVES COLGATE-PALMOLIVE COMPANY (US) 2006-06-08 WO disclosed
WO-2005099484-A1 WATER CONTINUOUS PRODUCT COMPRISING STEROL OR STANOLESTER AND A TOCOPHEROL UNILEVER N.V. (NL) 2005-10-27 WO disclosed
JP-2000026270-A SKIN PREPARATION FOR EXTERNAL USE CONTAINING RETINOIDS ISEHAN:KK 2000-01-25 JP disclosed
EP-0230475-B1 NOVEL UREA DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF AND HERBICIDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4838924-A NONPHYTOTOXIC MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed
EP-0129906-A1 Phenoxyalkoxy-3,4-dihydro-2H-1-benzopyran derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-01-02 EP disclosed
US-3951664-A Light-sensitive material having developers embedded therein AGFA-GEVAERT, A.G. (DT) 1976-04-20 US disclosed
US-3933507-A LIGHT INSENSITIVE SILVER SALT, POLYMETHINE SENSITIZER AGFA-GEVAERT, A.G. (DT) 1976-01-20 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-20210030022-A1 NOVEL USE OF SUBSTITUTED CHROMAN-6-OLS KMO, FFAR3, ACOX3 ESR1 2896/4885ESR2 2334/4885DRD2 870/4885
US-20160106753-A1 Dihydro-Benzo-Oxazine and Dihydro-Pyrido-Oxazine Derivatives PDXK, PDK1, DPYD ESR1 1118/4885ESR2 2251/4885DRD2 1996/4885

“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.