SCHEMBL81864

SCHEMBL81864

COc1ccc(CCCO)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RECQL P46063 1/20 0.51
HTT P42858 2/20 0.50
GAA P10253 2/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 2/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47

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
SCHEMBL2776466 0.95 HPGD (0.52) HPGDTNKS2MAPTALDH1A1MEN1
SCHEMBL31174285 0.89 HPGD (0.49) HPGDMAPTALDH1A1MEN1KMT2A
SCHEMBL4161202 0.89 HPGD (0.49) HPGDMAPTALDH1A1MEN1KMT2A
SCHEMBL6173908 0.86 TNKS2 (0.57) TNKS2MAPK1KDM4ETUBB4ATUBB
SCHEMBL81112 0.85 KDM4E (0.63) TNKS2MAPTKMT2AKDM4ETUBB4A
SCHEMBL13663812 0.84 SKP2 (0.58) HPGDMAPTALDH1A1MEN1KMT2A
Alcohol SCHEMBL15062546 0.82 KDM4E (0.59) TNKS2MAPTKMT2AKDM4ETUBB4A
SCHEMBL15535668 0.82 TUBB4A (0.69) TNKS2MEN1KMT2AGAATUBB4A
SCHEMBL24571074 0.82 MAPT (0.51) HPGDMAPTALDH1A1MEN1KMT2A
SCHEMBL12856182 0.82 PPARG (0.55) HPGDMAPTALDH1A1MEN1KMT2A

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 8 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
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

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 HPGD 2722/4885TNKS2 4834/4885MAPT 2801/4885

“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.