SCHEMBL18682256

SCHEMBL18682256

CC(C)Cc1cc(CC(C)Cc2ccc(C(F)(F)F)cc2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2B P41595 2/20 0.39
HTR2C P28335 1/20 0.39
IDO1 P14902 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
PPARD Q03181 3/20 0.37
PPARA Q07869 3/20 0.37
ALOX5AP P20292 1/20 0.36
PDE2A O00408 1/20 0.36
P2RX3 P56373 1/20 0.35
KCNH2 Q12809 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL8225527 0.82 IDO1 (0.53) GABRA1GABRB2ALDH1A1HTR2AHTR2B
SCHEMBL22095942 0.78 HTR2A (0.41) GABRA1GABRB2ALDH1A1HTR2AHTR2B
SCHEMBL2662219 0.77 ALDH1A1 (0.55) ALDH1A1HTR2AHTR2BHTR2CIDO1
SCHEMBL12304037 0.73 IDO1 (0.53) ALDH1A1HTR2AHTR2BHTR2CIDO1
SCHEMBL29453102 0.73 IDO1 (0.53) ALDH1A1HTR2AHTR2BHTR2CIDO1
SCHEMBL13003550 0.72 ALDH1A1 (0.46) ALDH1A1HTR2AHTR2BHTR2CIDO1
SCHEMBL14513508 0.72 MAOB (0.52) ALDH1A1TAAR1ALOX5APMAOB
SCHEMBL18896392 0.72 IDO1 (0.49) HTR2AHTR2BHTR2CIDO1PPARD
SCHEMBL22204327 0.71 HTR2A (0.57) HTR2AHTR2BHTR2CIDO1TAAR1
SCHEMBL22921050 0.71 ALDH1A1 (0.38) GABRA1GABRB2ALDH1A1HTR2AHTR2B

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-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 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-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR GABRA1 70/4885GABRB2 173/4885ALDH1A1 1503/4885

“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.