SCHEMBL20089255

SCHEMBL20089255

CC#CC(=O)C#Cc1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.40
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
NFKB1 P19838 1/20 0.36
POLB P06746 2/20 0.34
CTNNB1 P35222 2/20 0.34
WNT3A P56704 2/20 0.34
CNR2 P34972 1/20 0.33
POLQ O75417 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.32
PTGS1 P23219 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
SCHEMBL18104887 0.92 FFAR1 (0.50) FFAR1PTGDR2LMNAGAANFKB1
SCHEMBL18104854 0.81 FFAR1 (0.43) FFAR1PTGDR2LMNAGAANFKB1
SCHEMBL3161990 0.80 FFAR1 (0.52) FFAR1PTGDR2LMNAGAANFKB1
SCHEMBL5250349 0.79 FFAR1 (0.43) FFAR1PTGDR2LMNAGAANFKB1
SCHEMBL8058320 0.77 FFAR1 (0.45) FFAR1PTGDR2LMNAGAANFKB1
SCHEMBL20089254 0.75 FFAR1 (0.41) FFAR1ALDH1A1
SCHEMBL20089252 0.72 FFAR1 (0.46) FFAR1PTGDR2POLBALDH1A1PTGS1
SCHEMBL28586422 0.72 FFAR1 (0.44) FFAR1PTGDR2LMNAGAANFKB1
SCHEMBL11081761 0.70 NPSR1 (0.55) FFAR1POLBALDH1A1
SCHEMBL13918951 0.68 FFAR1 (0.41) FFAR1PTGDR2LMNAGAAPOLB

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 4854/4885PTGDR2 4327/4885LMNA 1210/4885

“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.