SCHEMBL8788883

SCHEMBL8788883

[2H]C([2H])(C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.54
PNMT P11086 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
SIGMAR1 Q99720 8/20 0.46
TSHR P16473 2/20 0.44
CYP1A2 P05177 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PYCR1 P32322 1/20 0.43
CYP2D6 P10635 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL93983 0.80 IDO1 (0.58) IDO1PNMTTAAR1SIGMAR1TSHR
Ammonia Solution, Strong SCHEMBL793693 0.78 IDO1 (0.56) IDO1PNMTTAAR1SIGMAR1TSHR
Methylamine SCHEMBL27329107 0.76 PNMT (0.56) IDO1PNMTTAAR1SIGMAR1TSHR
SCHEMBL22118869 0.76 PNMT (0.61) IDO1PNMTTAAR1SIGMAR1TSHR
SCHEMBL429772 0.76 PNMT (0.61) IDO1PNMTTAAR1SIGMAR1CYP1A2
SCHEMBL3298586 0.74 IDO1 (0.64) IDO1PNMTTAAR1SIGMAR1SLC6A2
Bromide SCHEMBL1964767 0.73 IDO1 (0.56) IDO1PNMTTAAR1SIGMAR1TSHR
Hydrochloric Acid SCHEMBL622227 0.73 IDO1 (0.56) IDO1PNMTTAAR1SIGMAR1TSHR
SCHEMBL9177318 0.73 SIGMAR1 (0.62) IDO1PNMTTAAR1SIGMAR1CYP1A2
SCHEMBL17372921 0.72 IDO1 (0.61) IDO1PNMTTAAR1SIGMAR1TSHR

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-20120129849-A1 DEUTERATED SERINE-THREONINE PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-05-24 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-20120129849-A1 DEUTERATED SERINE-THREONINE PROTEIN KINASE MODULATORS CKS1B, PACSIN2, CSNK1A1 IDO1 1839/4885PNMT 1116/4885TAAR1 4366/4885

“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.