SCHEMBL81832

SCHEMBL81832

Cc1cc(C)cc(C#CCO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
GRM5 P41594 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MELK Q14680 1/20 0.38
MMP2 P08253 1/20 0.35
MMP12 P39900 1/20 0.35
SELL P14151 1/20 0.35
SELP P16109 1/20 0.35
SELE P16581 1/20 0.35
ACHE P22303 1/20 0.35
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL18195376 0.81 ALDH1A1 (0.42) GRM5ALDH1A1MELKKCNJ5KCNJ3
SCHEMBL2161793 0.81 FFAR1 (0.33) FFAR1GRM5ALDH1A1MELKMMP2
SCHEMBL79281 0.79 GRM5 (0.50) FFAR1GRM5ALDH1A1MELKACHE
SCHEMBL32665923 0.77 GRM5 (0.55) GRM5ALDH1A1MELKKCNJ5KCNJ3
SCHEMBL4284069 0.77 GRM5 (0.55) GRM5ALDH1A1MELKKCNJ5KCNJ3
SCHEMBL16377626 0.76 APP (0.38) GRM5ALDH1A1MELKMMP2MMP12
SCHEMBL728193 0.76 HTT (0.52) FFAR1GRM5ALDH1A1MELKMMP2
SCHEMBL2160949 0.76 GABRP (0.33) GRM5GABRPGABRDGABRA1GABRB1
SCHEMBL3691802 0.76 FFAR1 (0.45) FFAR1GRM5ALDH1A1SELLSELP
SCHEMBL23608152 0.73 KCNJ5 (0.31) GRM5KCNJ5KCNJ3

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 6 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-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 FFAR1 1919/4885GRM5 1319/4885ALDH1A1 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.