SCHEMBL34463485

SCHEMBL34463485

O=c1cc[nH]n1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CHRM5 P08912 4/20 0.43
DAO P14920 3/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
P2RX3 P56373 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
CHRM3 P20309 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CXCR2 P25025 1/20 0.40
IDH1 O75874 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
PARK7 Q99497 1/20 0.39
EP300 Q09472 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
SCHEMBL11030904 0.78 IDO1 (0.44) KDM4EALDH1A1DAOHTR2CHTR2B
SCHEMBL9765925 0.77 TP53 (0.48) ALDH1A1DAOSMN1; SMN2
SCHEMBL11613138 0.72 KMT2A (0.47) ALDH1A1DAOCA12CA9SMN1; SMN2
SCHEMBL10946405 0.71 TRPV1 (0.53) DAO
SCHEMBL11618164 0.71 DAO (0.44) KDM4EALDH1A1CHRM5DAOP2RX3
SCHEMBL11619322 0.70 MEN1 (0.50) KDM4ECHRM5DAOHTR2CHTR2B
SCHEMBL11445125 0.70 P2RX3 (0.44) KDM4EALDH1A1CHRM5DAOP2RX3
SCHEMBL14656875 0.69 MGLL (0.69) KDM4EALDH1A1CHRM5P2RX3CA12
SCHEMBL11445371 0.69 KDM4E (0.41) KDM4EALDH1A1CHRM5DAOP2RX3
SCHEMBL8404372 0.68 CHRM5 (0.56) KDM4EALDH1A1CHRM5DAOP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260102404-A1 THYROID STIMULATING HORMONE RECEPTOR (TSHR) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2026-04-16 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-20260102404-A1 THYROID STIMULATING HORMONE RECEPTOR (TSHR) ANTAGONISTS AND USES THEREOF TSHR, TRHR, THRB KDM4E 4836/4885ALDH1A1 3929/4885CHRM5 160/4885

“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.