SCHEMBL15340960

SCHEMBL15340960

COc1ncc(-c2cccc(C(C)C)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 3/20 0.46
RXRA P19793 3/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
DHFR P00374 1/20 0.41
GRM5 P41594 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
CDK8 P49336 1/20 0.40
ABL1 P00519 1/20 0.39
SRC P12931 1/20 0.39
PTPN5 P54829 2/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 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
SCHEMBL8739647 0.81 HSD17B1 (0.61) RXRARXRBRXRGHDAC4HDAC8
SCHEMBL15340959 0.79 RXRA (0.50) RXRARXRBRXRGHDAC4HDAC8
SCHEMBL8739373 0.79 MAP4K4 (0.59) RXRARXRBRXRGDHFRCDK8
SCHEMBL12925912 0.79 FTO (0.47) FTODHFRALKBH5
SCHEMBL5352034 0.78 RXRA (0.62) RXRARXRBRXRGHDAC4HDAC8
SCHEMBL21228537 0.78 GABRA1 (0.52) FTORXRARXRBDHFRGRM5
SCHEMBL13680543 0.77 FTO (0.50) FTODHFRGRM5PTGES2ALKBH5
SCHEMBL24721116 0.77 PTGES2 (0.47) RXRARXRBRXRGHDAC4HDAC8
SCHEMBL24721112 0.77 RXRA (0.44) RXRARXRBRXRGHDAC4HDAC8
SCHEMBL15340936 0.77 ATM (0.44) RXRARXRBRXRGGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 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 (5 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 FTO 4875/4885RXRA 1408/4885RXRB 1416/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 FTO 3916/4885RXRA 396/4885RXRB 581/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 FTO 4875/4885RXRA 1408/4885RXRB 1416/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 FTO 4875/4885RXRA 1408/4885RXRB 1416/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 FTO 3916/4885RXRA 396/4885RXRB 581/4885

“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.