SCHEMBL80391

SCHEMBL80391

Cc1ccc(C)c(C#CCO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
GRM5 P41594 1/20 0.42
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LYN P07948 1/20 0.34
SRC P12931 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PGK1 P00558 1/20 0.33
RET P07949 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 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
SCHEMBL9743391 0.84 TP53 (0.40) FFAR1TDP1TP53ALDH1A1LYN
SCHEMBL6297936 0.82 ALDH1A1 (0.42) FFAR1GRM5TDP1TP53ALDH1A1
SCHEMBL14493327 0.78 TRPA1 (0.45) GRM5TDP1TP53ALDH1A1LYN
SCHEMBL3346530 0.75 TSHR (0.46) FFAR1GRM5ALDH1A1MEN1KMT2A
SCHEMBL3149641 0.72 GRM5 (0.46) FFAR1GRM5TDP1TP53ALDH1A1
SCHEMBL79944 0.72 FFAR1 (0.45) FFAR1TP53ALDH1A1KMT2APGK1
SCHEMBL16230358 0.72 PGK1 (0.43) ALDH1A1LYNSRCMEN1KMT2A
SCHEMBL3220960 0.72 TDP1 (0.42) FFAR1GRM5TDP1TP53ALDH1A1
SCHEMBL19586236 0.71 ESR2 (0.40) PGK1CYP3A4TSHR
SCHEMBL728193 0.70 HTT (0.52) FFAR1GRM5ALDH1A1MEN1KMT2A

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 1319/4885TDP1 2444/4885

“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.