SCHEMBL18033973

SCHEMBL18033973

Cc1cc(C)c(C(=O)Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ POLB P06746 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TAS1R3 Q7RTX0 2/20 0.37
▸ TAS1R1 Q7RTX1 2/20 0.37
▸ TAS1R2 Q8TE23 2/20 0.37

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
SCHEMBL7270831 0.89 ALDH1A1 (0.52) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL246394 0.86 TAS1R3 (0.41) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL28612978 0.84 TAS1R3 (0.40) HTTTSHRALDH1A1MAPTKMT2A
Phosphine SCHEMBL27814958 0.84 TAS1R3 (0.40) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL15571512 0.83 POLB (0.39) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL9737304 0.83 ALDH1A1 (0.52) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL4639714 0.81 POLB (0.53) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL28501367 0.78 KDM4E (0.44) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL22754120 0.78 CYP3A4 (0.50) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL6838898 0.77 HTT (0.38) HTTTSHRALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022747-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-01-25 — — US disclosed
WO-2016133793-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-25 — — 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-20180022747-A1 Factor IXa Inhibitors F9, TFPI, F12 HTT 4215/4885TSHR 346/4885ALDH1A1 672/4885

“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.

Send feedback