SCHEMBL82284

SCHEMBL82284

Cc1ccc(CCCO)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.44
ALOX15 P16050 3/20 0.44
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP4A11 Q02928 2/20 0.41
CYP4F2 P78329 1/20 0.41
PNMT P11086 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
SIGMAR1 Q99720 4/20 0.38
KDM4E B2RXH2 1/20 0.38
CA2 P00918 1/20 0.38
SKP2 Q13309 1/20 0.38
CCR2 P41597 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
KDM1A O60341 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 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
SCHEMBL81132 0.85 IGF1R (0.44) IGF1RALOX15ALDH1A1CYP4A11CYP4F2
SCHEMBL12719081 0.82 SKP2 (0.56) IGF1RALOX15NPSR1CYP3A4SIGMAR1
SCHEMBL81497 0.82 IGF1R (0.63) IGF1RALOX15ALDH1A1PNMTTAAR1
SCHEMBL80684 0.82 ALDH1A1 (0.47) IGF1RALOX15ALDH1A1CYP3A4CYP4A11
SCHEMBL8500210 0.81 PNMT (0.52) IGF1RALOX15ALDH1A1NPSR1CYP3A4
SCHEMBL80740 0.81 SKP2 (0.42) IGF1RALOX15ALDH1A1NPSR1CYP3A4
SCHEMBL92958 0.79 S1PR1 (0.51) ALDH1A1NPSR1CYP3A4KDM4ECCR2
SCHEMBL6845426 0.79 ALDH1A1 (0.41) IGF1RALOX15ALDH1A1NPSR1CYP3A4
SCHEMBL27848429 0.78 IGF1R (0.52) IGF1RALOX15ALDH1A1NPSR1KDM4E
SCHEMBL13981318 0.78 SIGMAR1 (0.51) ALDH1A1TAAR1SIGMAR1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
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-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
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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 IGF1R 4690/4885ALOX15 1268/4885ALDH1A1 646/4885

“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.