SCHEMBL19699451

SCHEMBL19699451

Cc1cc(C(C)C)cc(C(F)(F)F)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CRHBP P24387 1/20 0.44
CYP2C19 P33261 1/20 0.44
CRHR2 Q13324 1/20 0.44
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
ADORA2A P29274 4/20 0.37
ADORA1 P30542 4/20 0.37
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL15241360 0.87 CYP2C19 (0.50) HSP90AA1HSP90AB1TSHRCYP3A4CYP2D6
SCHEMBL23131101 0.85 HSP90AA1 (0.52) HSP90AA1HSP90AB1TSHRCYP3A4CYP2D6
SCHEMBL20642312 0.85 HSP90AA1 (0.35) HSP90AA1HSP90AB1TSHRCYP3A4CYP2D6
SCHEMBL18068097 0.80 CYP2C19 (0.58) HSP90AA1HSP90AB1TSHRCYP3A4CYP2D6
SCHEMBL15723315 0.80 CYP3A4 (0.44) HSP90AA1HSP90AB1TSHRCYP3A4CYP2D6
SCHEMBL21672255 0.78 HSP90AA1 (0.44) HSP90AA1HSP90AB1TSHRCYP3A4CYP2D6
SCHEMBL22767490 0.78 CYP2C19 (0.43) HSP90AA1HSP90AB1TSHRCYP3A4CYP2D6
SCHEMBL803445 0.78 POLB (0.38) KDM4EALDH1A1
SCHEMBL17618310 0.76 HSP90AA1 (0.55) HSP90AA1HSP90AB1TSHRCYP3A4CYP2D6
SCHEMBL20642311 0.76 CYP3A4 (0.41) HSP90AA1HSP90AB1TSHRCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-05-04 US disclosed
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed
US-20210296594-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Beijing Summer Sprout Technology Co., Ltd. (CN) 2021-09-23 US disclosed
US-20200048267-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2020-02-13 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 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-20210296594-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SLCO2B1, SLCO2A1, SLCO4C1 HSP90AA1 3648/4885HSP90AB1 3369/4885TSHR 3621/4885
US-20200048267-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN HSP90AA1 3457/4885HSP90AB1 3216/4885TSHR 4632/4885
US-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF SLCO2B1, SLCO2A1, SLCO1B3 HSP90AA1 4055/4885HSP90AB1 3933/4885TSHR 4553/4885
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HSP90AA1 442/4885HSP90AB1 252/4885TSHR 2418/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HSP90AA1 479/4885HSP90AB1 263/4885TSHR 2548/4885

“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.