SCHEMBL13413643

SCHEMBL13413643

CCC(C)(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
TACR1 P25103 7/20 0.39
ALDH1A1 P00352 1/20 0.36
DAO P14920 2/20 0.35
CES2 O00748 1/20 0.34
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 0.34
HTR2C P28335 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
OPRK1 P41145 1/20 0.33
MTOR P42345 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 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
SCHEMBL25039894 0.89 RXRA (0.36) IDO1TACR1ALDH1A1
SCHEMBL20132761 0.83 IDO1 (0.44) IDO1TACR1ALDH1A1DAOCES2
SCHEMBL12881790 0.81 HTR2A (0.53) IDO1ALDH1A1HTR2AHTR2BHTR2C
SCHEMBL2600027 0.80 IDO1 (0.48) IDO1TACR1DAOCES2HTR2A
SCHEMBL10262801 0.79 TAAR1 (0.45) IDO1ALDH1A1
SCHEMBL1720495 0.78 IDO1 (0.52) IDO1TACR1DAOCES2HTR2A
SCHEMBL25039021 0.77 ALDH1A1 (0.39) IDO1TACR1ALDH1A1DAOHTR2A
SCHEMBL148275 0.75 IDO1 (0.52) IDO1TACR1DAOCES2HTR2A
SCHEMBL14307073 0.74 IDO1 (0.37) IDO1ALDH1A1LMNATSHR
SCHEMBL20132763 0.73 ALDH1A1 (0.36) IDO1TACR1ALDH1A1

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-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 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 (2 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 IDO1 1995/4885TACR1 2139/4885ALDH1A1 135/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP IDO1 4683/4885TACR1 2708/4885ALDH1A1 3887/4885

“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.