SCHEMBL4399206

SCHEMBL4399206

O=C(O)C(CCO)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
OPRM1 P35372 6/20 0.44
DRD3 P35462 3/20 0.44
DRD4 P21917 2/20 0.44
DRD2 P14416 1/20 0.44
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2D6 P10635 2/20 0.40
KCNH2 Q12809 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
KIF11 P52732 3/20 0.39
AKR1B1 P15121 1/20 0.38
GRIN2D O15399 2/20 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
SCHEMBL11688012 0.91 KIF11 (0.46) CYP1A2OPRM1DRD3DRD4DRD2
SCHEMBL6384616 0.82 CYP1A2 (0.48) CYP1A2OPRM1DRD3DRD4DRD2
SCHEMBL9780534 0.82 OPRM1 (0.67) CYP1A2OPRM1DRD3DRD4DRD2
SCHEMBL395172 0.81 CYP1A2 (0.43) CYP1A2OPRM1DRD3DRD4DRD2
SCHEMBL1614867 0.81 CYP2C19 (0.54) CYP1A2OPRM1DRD3DRD4DRD2
SCHEMBL379350 0.81 CYP2C19 (0.44) CYP1A2OPRM1DRD3DRD4DRD2
Hydrochloric Acid SCHEMBL2861649 0.79 CYP2C19 (0.55) CYP1A2OPRM1DRD3DRD4DRD2
Hydrochloric Acid SCHEMBL2395810 0.79 OPRM1 (0.42) CYP1A2OPRM1DRD3DRD4DRD2
SCHEMBL7173871 0.79 OPRM1 (0.73) CYP1A2OPRM1DRD3DRD4DRD2
SCHEMBL31643504 0.78 OPRM1 (0.41) CYP1A2OPRM1DRD3DRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006052985-A1 LACTONES AS NEW OXYGENATE FUEL ADDITIVES, FUELS BASED THEREON AND METHODS FOR USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-05-18 WO claimed
US-20060096158-A1 Lactones as new oxygenate fuel additives, fuels based thereon and methods for using same ROBINSON J M 2006-05-11 US claimed
US-20030069232-A1 Topical treatment of ocular hypertension, glaucoma, ischemic retinopathy and age-related macular degeneration with ophthalmic formulation of dopamine antagonists CHIOU GEORGE C Y (US) 2003-04-10 US claimed
EP-1225879-A2 OPHTHALMIC FORMULATION OF DOPAMINE ANTAGONISTS Orbon Corporation (US) 2002-07-31 EP claimed
US-20010016604-A1 Additives enhancing topical actions of therapeutic agents TRISTRATA, INCORPORATED 2001-08-23 US claimed
WO-2001030337-A2 OPHTHALMIC FORMULATION OF DOPAMINE ANTAGONISTS ORBON CORPORATION (US) 2001-05-03 WO claimed
US-6060512-A Method of using hydroxycarboxylic acids or related compounds for treating skin changes asociated with intrinsic and extrinsic aging TRISTRATA TECHNOLOGY, INC. (US) 2000-05-09 US claimed
US-5962526-A ENHANCING THERAPEUTIC EFFECT OT TOPICALLY APPLIED AGENTS TRISTRATA TECHNOLOGY, INC. (US) 1999-10-05 US claimed
EP-0770399-A2 Additives enhancing topical actions of therapeutic agents Van Scott, Eugene J., Dr. (US) 1997-05-02 EP claimed
EP-0273202-B1 Use of hydroxycarboxylic acids to enhance therapeutic effects of topical compositions for fungal infections and pigmented spots. SCOTT EUGENE J VAN (US) 1995-06-21 EP claimed
EP-0273202-A2 Use of hydroxycarboxylic acids to enhance therapeutic effects of topical compositions for fungal infections and pigmented spots. Van Scott, Eugene J., Dr. (US) 1988-07-06 EP claimed
EP-2688554-A2 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES Cevc, Gregor (DE) 2014-01-29 EP disclosed
US-20140017302-A1 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CEVC GREGOR (DE) 2014-01-16 US disclosed
WO-2012126966-A2 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CEVC GREGOR (DE) 2012-09-27 WO disclosed
US-20090023628-A1 Cosmetic Composition and a Process for Preparing This Cosmetic Composition and a Cosmetic Product NATURA COSMETICOS S.A. (BR) 2009-01-22 US disclosed
US-5470880-A Method of using citric acid for the treatment of wrinkles TRISTRATA, INCORPORATED 1995-11-28 US disclosed
US-5422370-A Topical application TRISTRATA, INCORPORATED 1995-06-06 US disclosed
US-5389677-A Topical application IGI, INC. 1995-02-14 US disclosed
EP-0599819-A2 Additives enhancing topical actions of therapeutic agents Van Scott, Eugene J., Dr. (US) 1994-06-01 EP disclosed
EP-0273202-A2 Use of hydroxycarboxylic acids to enhance therapeutic effects of topical compositions for fungal infections and pigmented spots. Van Scott, Eugene J., Dr. (US) 1988-07-06 EP 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 (3 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-20140017302-A1 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CD68, CHMP4B, ANXA5 CYP1A2 4605/4885OPRM1 2931/4885DRD3 3937/4885
US-20030069232-A1 Topical treatment of ocular hypertension, glaucoma, ischemic retinopathy and age-related macular degeneration with ophthalmic formulation of dopamine antagonists ALDH1A2, SLC6A3, PINK1 CYP1A2 3690/4885OPRM1 2191/4885DRD3 386/4885
US-20010016604-A1 Additives enhancing topical actions of therapeutic agents ALOX15, PLOD3, ALOX15B CYP1A2 2877/4885OPRM1 4676/4885DRD3 3822/4885

“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.