SCHEMBL3029667

SCHEMBL3029667

Cc1c(Br)cc(Cl)c(O)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.46
TSHR P16473 6/20 0.46
HPGD P15428 5/20 0.46
MAPK1 P28482 2/20 0.46
CYP3A4 P08684 6/20 0.39
RECQL P46063 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CASP1 P29466 2/20 0.39
TTR P02766 1/20 0.39
SIRT1 Q96EB6 1/20 0.37
ALOX15 P16050 4/20 0.36
THRB P10828 2/20 0.36
CHRM1 P11229 2/20 0.36
TBXA2R P21731 2/20 0.36
ADRA1A P35348 2/20 0.36
HTR2B P41595 2/20 0.36
MAOA P21397 1/20 0.36
HIF1A Q16665 4/20 0.35
MAPT P10636 4/20 0.35
CYP2C19 P33261 3/20 0.35

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
SCHEMBL9051494 0.79 TSHR (0.40) HSD17B10TSHRHPGDMAPK1CYP3A4
SCHEMBL24727674 0.79 HSD17B10 (0.40) HSD17B10TSHRHPGDMAPK1CYP3A4
SCHEMBL29979185 0.78 HSD17B10 (0.37) HSD17B10TSHRHPGDMAPK1CYP3A4
SCHEMBL16815600 0.78 CYP3A4 (0.33) HSD17B10TSHRHPGDCYP3A4RECQL
SCHEMBL10771021 0.78 HSD17B10 (0.59) HSD17B10TSHRHPGDMAPK1CYP3A4
SCHEMBL736999 0.76 HSD17B10 (0.50) HSD17B10TSHRHPGDMAPK1CYP3A4
SCHEMBL16815621 0.75 ALOX5 (0.50) HSD17B10CYP3A4ALOX15MAPTALOX12
SCHEMBL25924982 0.75 SIRT1 (0.41) HSD17B10TSHRHPGDMAPK1CYP3A4
SCHEMBL18339076 0.74 AKR1C2 (0.48) HSD17B10HPGDALDH1A1TTRMAPT
SCHEMBL24824899 0.74 ERN1 (0.46) HSD17B10HPGDCYP3A4ALDH1A1ALOX15

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
WO-2022216945-A1 MACROCYCLIC MCL1 INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-10-13 WO disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 HSD17B10 761/4885TSHR 4441/4885HPGD 824/4885

“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.