SCHEMBL15836985

SCHEMBL15836985

CCOC(=O)c1cccc2[nH]cc(C)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
CLEC4M Q9H2X3 1/20 0.51
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GABRA1 P14867 3/20 0.46
GABRB2 P47870 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GABRB1 P18505 2/20 0.45
GABRA3 P34903 2/20 0.45
NR4A2 P43354 1/20 0.44
CDC25B P30305 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1223596 0.84 NR4A2 (0.61) TSHRALDH1A1HSD17B10KDM4ENR4A2
SCHEMBL29886596 0.84 NR4A2 (0.61) TSHRALDH1A1HSD17B10KDM4ENR4A2
SCHEMBL2970181 0.81 CLEC4M (0.58) TSHRCLEC4MALDH1A1HSD17B10GABRA1
SCHEMBL10642478 0.81 HTR2C (0.55) TSHRCLEC4MALDH1A1HSD17B10GABRA1
SCHEMBL6009595 0.81 TSHR (0.61) TSHRCLEC4MALDH1A1HSD17B10GABRA1
SCHEMBL9023551 0.81 CA12 (0.54) TSHRCLEC4MALDH1A1GABRA1GABRB2
SCHEMBL7552732 0.79 GABRA1 (0.52) TSHRCLEC4MGABRA1GABRB2GABRB1
SCHEMBL2592748 0.79 HSD17B10 (0.47) ALDH1A1HSD17B10KDM4ENR4A2MEN1
SCHEMBL6008342 0.79 TSHR (0.54) TSHRCLEC4MALDH1A1HSD17B10GABRA1
SCHEMBL10930498 0.78 NR4A2 (0.51) TSHRCLEC4MALDH1A1HSD17B10GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9271978-B2 Heterocyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS CORP. (CA) 2016-03-01 US disclosed
US-9271978-B2 Heterocyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS CORP. (CA) 2016-03-01 US disclosed
US-20140179648-A1 Novel Heterocyclic Compounds as Bromodomain Inhibitors RVX THERAPEUTICS INC. (CA) 2014-06-26 US disclosed
US-20140179648-A1 Novel Heterocyclic Compounds as Bromodomain Inhibitors RVX THERAPEUTICS INC. (CA) 2014-06-26 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 (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-20140179648-A1 Novel Heterocyclic Compounds as Bromodomain Inhibitors BRD4, BRDT, BRD3 TSHR 3323/4885CLEC4M 3967/4885ALDH1A1 4346/4885

“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.