SCHEMBL15413871

SCHEMBL15413871

C=CCOc1ccc2ccccc2c1CO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
XIAP P98170 1/20 0.40
LIG1 P18858 1/20 0.40
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
KMT2A Q03164 2/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL15414672 0.84 HPGD (0.56) HPGDPOLBGAAHSD17B10TSHR
SCHEMBL20537239 0.81 HPGD (0.62) HPGDPOLBGAAHSD17B10TSHR
SCHEMBL3816129 0.79 HPGD (0.60) HPGDPOLBGAAHSD17B10TSHR
SCHEMBL15414250 0.79 ALOX5 (0.51) HSD17B10TSHRMAPK1KMT2A
SCHEMBL29235274 0.78 HPGD (0.58) HPGDPOLBGAAHSD17B10TSHR
SCHEMBL20554560 0.78 HPGD (0.58) HPGDPOLBGAAHSD17B10TSHR
SCHEMBL30618849 0.78 HPGD (0.58) HPGDPOLBGAATSHRMAPK1
SCHEMBL4252855 0.78 HPGD (0.71) HPGDPOLBGAAHSD17B10TSHR
SCHEMBL4372673 0.78 HPGD (0.58) HPGDPOLBGAAHSD17B10TSHR
SCHEMBL29956080 0.77 HPGD (0.58) HPGDPOLBGAAHSD17B10TSHR

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
EP-2872490-B1 ANTIPROLIFERATIVE BENZO[B]AZEPIN-2-ONES HOFFMANN LA ROCHE (CH) 2018-02-07 EP disclosed
US-9611224-B2 Antiproliferative benzo [B] azepin-2-ones HOFFMANN-LA ROCHE INC. (US) 2017-04-04 US disclosed
US-20150353499-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN-2-ONES HOFFMAN-LA ROCHE INC. (US) 2015-12-10 US disclosed
EP-2872490-A1 ANTIPROLIFERATIVE BENZO [B]AZEPIN- 2 - ONES F. Hoffmann-La Roche AG (CH) 2015-05-20 EP disclosed
WO-2014009495-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN- 2 - ONES F. HOFFMANN-LA ROCHE AG (CH) 2014-01-16 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-20150353499-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN-2-ONES CCNY, RB1, TOP2B HPGD 1673/4885POLB 894/4885GAA 780/4885

“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.