SCHEMBL79944

SCHEMBL79944

Cc1cccc(C#CCO)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.45
TRPA1 O75762 2/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 1/20 0.33
MAPT P10636 3/20 0.33
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
CHRM2 P08172 1/20 0.31
S1PR1 P21453 1/20 0.31
FPR1 P21462 1/20 0.31
FPR3 P25089 1/20 0.31
GPR183 P32249 1/20 0.31
APLNR P35414 1/20 0.31

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
SCHEMBL3346530 0.83 TSHR (0.46) FFAR1ALDH1A1TSHRKMT2AMAPT
SCHEMBL79177 0.82 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTKDM4EMAPK1
SCHEMBL15063291 0.77 FFAR1 (0.41) FFAR1TRPA1ATMALDH1A1TSHR
SCHEMBL30515632 0.75 CYP1A2 (0.44) ALDH1A1TSHRKMT2AMAPTCYP1A2
SCHEMBL6449051 0.75 CYP1A2 (0.44) ALDH1A1TSHRKMT2AMAPTCYP1A2
SCHEMBL24669104 0.74 CA2 (0.48) ALDH1A1CYP2C9CA1CA2CA7
SCHEMBL9274173 0.74 ALDH1A1 (0.36) FFAR1ALDH1A1KMT2AMAPTCYP1A2
SCHEMBL27808886 0.74 FFAR1 (0.42) FFAR1TRPA1ATMALDH1A1TSHR
SCHEMBL80452 0.73 TSHR (0.41) ALDH1A1TSHRKMT2AMAPTCYP1A2
SCHEMBL9617640 0.73 FFAR1 (0.40) FFAR1TRPA1ATMALDH1A1TSHR

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 1919/4885TRPA1 245/4885ATM 2505/4885

“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.