SCHEMBL2467986

SCHEMBL2467986

C=Cc1ccc(OC)cc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.44
CYP1A1 P04798 5/20 0.44
CYP1B1 Q16678 5/20 0.44
CYP2D6 P10635 2/20 0.44
ADRA2A P08913 2/20 0.44
ADRA1A P35348 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 2/20 0.42
BLM P54132 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.41
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
NFE2L2 Q16236 2/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
CYP2A6 P11509 1/20 0.39

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
SCHEMBL2639145 0.85 ADRA2A (0.45) CYP1A2CYP1A1CYP1B1CYP2D6ADRA2A
SCHEMBL16957658 0.85 ERN1 (0.41) CYP1A2CYP1A1CYP1B1CYP2D6ADRA2A
SCHEMBL7304531 0.81 ALDH1A1 (0.59) CYP1A2CYP1A1CYP1B1CYP2D6ADRA2A
SCHEMBL9065566 0.78 CYP1A2 (0.52) CYP1A2CYP1A1CYP1B1CYP2D6MEN1
SCHEMBL30567454 0.78 CYP1A2 (0.52) CYP1A2CYP1A1CYP1B1CYP2D6MEN1
SCHEMBL16951297 0.76 CYP2D6 (0.41) CYP1A2CYP1A1CYP1B1CYP2D6ADRA2A
SCHEMBL10304814 0.76 CYP2D6 (0.50) CYP1A2CYP2D6ADRA2AADRA1AMEN1
SCHEMBL5026272 0.75 CYP1A2 (0.50) CYP1A2CYP1A1CYP1B1CYP2D6MEN1
SCHEMBL25893482 0.75 KDM4E (0.45) ALDH1A1NFE2L2KDM4ESMN1; SMN2MAPT
4-Vinylphenol SCHEMBL5900822 0.75 CYP1A1 (0.43) CYP1A2CYP1A1CYP1B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2023-05-11 US disclosed
EP-1395622-B1 ARBORESCENT THERMOPLASTIC ELASTOMERS AND PRODUCTS THEREFROM AUSTIN VENTURE PARTNERS LLC (US) 2011-10-05 EP disclosed
US-6747098-B2 A BRANCHED BLOCK COPOLYMER COMPRISING A LOW GLASS TRANSITION TEMPERATURE SOFT SEGMENTS AND RIGID SEGMENTS WITH A HIGH TRANSITION TEMPERATURE OR CRYSTALLINE MELTING POINT; NON-BIODEGRADABLE IMPLANTABLE PROSTHESUS THE UNIVERSITY OF WESTERN ONTARIO (CA) 2004-06-08 US disclosed
EP-1395622-A1 ARBORESCENT THERMOPLASTIC ELASTOMERS AND PRODUCTS THEREFROM THE UNIVERSITY OF WESTERN ONTARIO (CA) 2004-03-10 EP disclosed
US-20030065098-A1 Arborescent thermoplastic elastomers and products therefrom AUSTIN VENTURE PARTNERS, LLC 2003-04-03 US disclosed
WO-2002096967-A1 ARBORESCENT THERMOPLASTIC ELASTOMERS AND PRODUCTS THEREFROM THE UNIVERSITY OF WESTERN ONTARIO (CA) 2002-12-05 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 (1 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-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF HSD17B1, HSD17B13, HSD17B3 CYP1A2 83/4885CYP1A1 224/4885CYP1B1 136/4885

“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.