SCHEMBL20089252

SCHEMBL20089252

CC#CC(=O)C#Cc1ccccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
GRM5 P41594 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA4 P22748 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL18104885 0.93 FFAR1 (0.50) FFAR1GRM5PTGDR2CA1CA2
SCHEMBL8195398 0.81 FFAR1 (0.49) FFAR1GRM5PTGDR2CA1CA2
SCHEMBL670658 0.81 FFAR1 (0.52) FFAR1GRM5PTGDR2CA1CA2
SCHEMBL18104852 0.80 FFAR1 (0.44) FFAR1GRM5PTGDR2POLBSMN1; SMN2
SCHEMBL459924 0.79 FFAR1 (0.48) FFAR1GRM5PTGDR2CA1CA2
SCHEMBL8768302 0.78 CA1 (0.52) FFAR1GRM5PTGDR2CA1CA2
SCHEMBL27167227 0.77 HSP90AA1 (0.63) FFAR1GRM5PTGDR2CA1CA2
SCHEMBL20089254 0.76 FFAR1 (0.41) FFAR1ALDH1A1BCHE
SCHEMBL30022461 0.75 CA1 (0.60) FFAR1GRM5PTGDR2CA1CA2
SCHEMBL4214499 0.75 CA1 (0.60) FFAR1GRM5PTGDR2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111889-A1 METHODS OF MAKING MULTICYCLIC COMPOUNDS USING MULTICOMPONENT/TANDEM REACTION SEQUENCES BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, (US) 2018-04-26 US 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-20180111889-A1 METHODS OF MAKING MULTICYCLIC COMPOUNDS USING MULTICOMPONENT/TANDEM REACTION SEQUENCES TYMS, RTCB, POLRMT FFAR1 4854/4885GRM5 4363/4885PTGDR2 4327/4885

“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.