SCHEMBL18878389

SCHEMBL18878389

COc1cc(Br)cc(C(C)C)c1O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.67
GABRB1 P18505 3/20 0.67
ERN1 O75460 6/20 0.51
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
ALOX5 P09917 1/20 0.46
PTGS2 P35354 1/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
GAA P10253 3/20 0.42
GABRB2 P47870 1/20 0.41
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41
LPAR1 Q92633 1/20 0.40

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
SCHEMBL20621495 0.82 ERN1 (0.46) GABRA1GABRB1ERN1ALOX15ALOX12
SCHEMBL1879373 0.81 ERN1 (0.64) ERN1ALOX15ALOX12ALOX5PTGS2
SCHEMBL3640323 0.81 GABRA1 (1.00) GABRA1GABRB1CA1CA2GAA
SCHEMBL25834787 0.78 GABRA1 (0.47) GABRA1GABRB1ERN1ALOX15ALOX12
SCHEMBL13747710 0.78 GABRA1 (0.47) GABRA1GABRB1ERN1ALOX15ALOX12
SCHEMBL11974265 0.78 ERN1 (0.50) GABRA1GABRB1ERN1CA1CA2
SCHEMBL28661145 0.78 ERN1 (0.49) GABRA1GABRB1ERN1ALOX15ALOX12
SCHEMBL28669627 0.78 ERN1 (0.49) GABRA1GABRB1ERN1ALOX15ALOX12
SCHEMBL6541836 0.77 ERN1 (0.60) ERN1ALOX15ALOX12ALOX5PTGS2
SCHEMBL4644161 0.75 GABRA1 (0.78) GABRA1GABRB1ERN1ALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-9846160-B2 Ganglioside GD2 as a marker and target on cancer stem cells BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEMS (US) 2017-12-19 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 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 (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-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC GABRA1 3550/4885GABRB1 2981/4885ERN1 314/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 GABRA1 2843/4885GABRB1 1072/4885ERN1 2328/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A GABRA1 637/4885GABRB1 146/4885ERN1 1731/4885

“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.