SCHEMBL9936059

SCHEMBL9936059

CON(c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FFAR1 O14842 1/20 0.39
KCNH2 Q12809 3/20 0.39
NFE2L2 Q16236 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
APP P05067 1/20 0.36
SLC6A4 P31645 2/20 0.34
CES1 P23141 1/20 0.34
KCNH3 Q9ULD8 1/20 0.34
SLC6A2 P23975 1/20 0.34
NR3C2 P08235 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 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
SCHEMBL3951063 0.86 CA4 (0.41) TSHRKMT2ACA12CA1CA2
Hydrochloric Acid SCHEMBL9721484 0.84 CA4 (0.39) TSHRKMT2ACA12CA1CA2
Nitrogen SCHEMBL7754822 0.81 CA4 (0.38) TSHRKMT2ACA12CA1CA2
SCHEMBL19432228 0.81 ESR2 (0.48) KMT2AHSD17B10NPC1APPCA12
SCHEMBL4648364 0.80 CYP2C19 (0.45) TSHRCES1CA12CA9ACHE
SCHEMBL23115905 0.78 MAPT (0.58) TSHRMAPK1KMT2AHSD17B10
SCHEMBL31006745 0.78 CA4 (0.54) KMT2ACES1CA12CA1CA2
SCHEMBL31006747 0.78 CA4 (0.54) KMT2ACES1CA12CA1CA2
SCHEMBL5896624 0.75 KMT2A (0.43) TSHRKMT2APOLBCA2CA4
SCHEMBL307380 0.75 CES1 (0.49) TSHRMAPK1KMT2AHSD17B10FFAR1

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
CN-102702013-B Nuclear receptor binding agents GTX INC. (US) 2016-02-10 CN disclosed
CN-102351732-B Nuclear receptor binding agents GTX INC. (US) 2014-10-29 CN disclosed
US-8637706-B2 Nuclear receptor binding agents GTX, INC. (US) 2014-01-28 US disclosed
CN-102702013-A Nuclear receptor binding agents GTX INC 2012-10-03 CN disclosed
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2012-06-21 US disclosed
CN-102351732-A Nuclear receptor binding agents GTX INC 2012-02-15 CN disclosed
CN-101336227-A Nuclear receptor binding agents GTX INC (US) 2008-12-31 CN 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-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 TSHR 405/4885MAPK1 2190/4885KMT2A 1506/4885

“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.