SCHEMBL81528

SCHEMBL81528

Cc1ccc(F)c(CCCO)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
MAPK1 P28482 1/20 0.39
MAP2K4 P45985 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
MAPKAPK3 Q16644 1/20 0.39
MAPK6 Q16659 1/20 0.39
AMY1A P0DUB6 1/20 0.35
RAB9A P51151 1/20 0.35
TLR8 Q9NR97 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NFE2L2 Q16236 1/20 0.32
GCGR P47871 1/20 0.32

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
SCHEMBL1561341 0.88 TAAR1 (0.44) TAAR1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL23652736 0.85 CA2 (0.54) CA2TAAR1MAPK1MAP2K4MAPKAPK2
SCHEMBL12602014 0.82 TYR (0.44) TAAR1MAPK1RAB9ATLR8ALDH1A1
SCHEMBL15787780 0.81 TAAR1 (0.50) TAAR1TLR8
SCHEMBL80594 0.81 TAAR1 (0.41) TAAR1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL14591156 0.81 TYR (0.44) TAAR1TLR8ALDH1A1GCGR
SCHEMBL38650825 0.80 TAAR1 (0.59) CA2TAAR1AMY1ARAB9AALDH1A1
SCHEMBL79895 0.80 TAAR1 (0.59) CA2TAAR1AMY1ARAB9AALDH1A1
SCHEMBL2338933 0.80 CA2 (0.45) CA2ALDH1A1
SCHEMBL268243 0.79 MAPK1 (0.54) TAAR1MAPK1MAP2K4MAPKAPK2MAPKAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 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

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 CA2 1060/4885TAAR1 197/4885MAPK1 1204/4885

“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.