SCHEMBL81132

SCHEMBL81132

Cc1cc(CCCO)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.44
ALOX15 P16050 3/20 0.44
SKP2 Q13309 1/20 0.42
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
CYP4A11 Q02928 2/20 0.41
CYP4F2 P78329 1/20 0.41
S1PR1 P21453 2/20 0.38
PNMT P11086 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MCL1 Q07820 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 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
SCHEMBL12333663 0.88 ALDH1A1 (0.47) IGF1RALOX15TP53GAACYP4A11
SCHEMBL29434783 0.88 ALDH1A1 (0.47) IGF1RALOX15TP53GAACYP4A11
SCHEMBL82284 0.85 IGF1R (0.44) IGF1RALOX15SKP2GAACYP4A11
SCHEMBL81497 0.82 IGF1R (0.63) IGF1RALOX15TP53PNMTTAAR1
SCHEMBL80684 0.82 ALDH1A1 (0.47) IGF1RALOX15SKP2GAACYP4A11
SCHEMBL86433 0.81 SKP2 (0.42) IGF1RALOX15SKP2TP53S1PR1
SCHEMBL81436 0.81 SKP2 (0.46) IGF1RALOX15SKP2TP53CYP4A11
SCHEMBL31533145 0.79 S1PR1 (0.51) S1PR1ALDH1A1MCL1
SCHEMBL93063 0.79 S1PR1 (0.51) S1PR1ALDH1A1MCL1
SCHEMBL17277454 0.79 PNMT (0.50) IGF1RALOX15SKP2PNMTTAAR1

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 11 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-9221827-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-29 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-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 1268/4885SKP2 3298/4885

“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.