SCHEMBL86433

SCHEMBL86433

BCCCc1ccc(Cl)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.42
IGF1R P08069 3/20 0.41
ALOX15 P16050 3/20 0.41
PNMT P11086 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
SIGMAR1 Q99720 6/20 0.36
CYP1A2 P05177 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
GSTO1 P78417 1/20 0.35
S1PR1 P21453 1/20 0.35
CYP2D6 P10635 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL81132 0.81 IGF1R (0.44) SKP2IGF1RALOX15PNMTTAAR1
SCHEMBL81436 0.81 SKP2 (0.46) SKP2IGF1RALOX15PNMTTAAR1
SCHEMBL17277454 0.79 PNMT (0.50) SKP2IGF1RALOX15PNMTTAAR1
SCHEMBL8037047 0.78 SKP2 (0.40) SKP2IGF1RALOX15PNMTTAAR1
SCHEMBL12841593 0.78 SKP2 (0.46) SKP2PNMTTAAR1SIGMAR1CYP1A2
SCHEMBL7458179 0.76 PNMT (0.41) SKP2IGF1RALOX15PNMTTAAR1
SCHEMBL27875845 0.76 PNMT (0.41) SKP2IGF1RALOX15PNMTTAAR1
SCHEMBL12333663 0.76 ALDH1A1 (0.47) IGF1RALOX15PNMTTAAR1ALDH1A1
SCHEMBL3840980 0.76 TAAR1 (0.67) ALOX15PNMTTAAR1SIGMAR1CYP1A2
SCHEMBL29434783 0.76 ALDH1A1 (0.47) IGF1RALOX15PNMTTAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C SKP2 3298/4885IGF1R 4690/4885ALOX15 1268/4885

“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.