SCHEMBL5095231

SCHEMBL5095231

CCCCC#CC=CC#Cc1ccc(-c2ccc(C#CC=CC#CCCCC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MMP2 P08253 1/20 0.36
MMP12 P39900 1/20 0.36
TNK2 Q07912 1/20 0.36
KCNH2 Q12809 5/20 0.33
CYP1A2 P05177 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
HMGCR P04035 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 1/20 0.33
CHRNA7 P36544 2/20 0.32
CHRNA10 Q9GZZ6 2/20 0.32
CHRNA9 Q9UGM1 2/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 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
SCHEMBL5095230 1.00 FFAR1 (0.37) FFAR1FFAR4TSHRHSD17B10MMP2
SCHEMBL5095348 0.93 FFAR1 (0.44) FFAR1FFAR4TSHRHSD17B10MMP2
SCHEMBL5095343 0.93 FFAR1 (0.44) FFAR1FFAR4TSHRHSD17B10MMP2
SCHEMBL5092667 0.87 FFAR1 (0.48) FFAR1FFAR4TSHRMMP2MMP12
SCHEMBL5092657 0.87 FFAR1 (0.48) FFAR1FFAR4TSHRMMP2MMP12
SCHEMBL5089559 0.86 NPSR1 (0.40) FFAR1FFAR4HSD17B10MMP2MMP12
SCHEMBL5089568 0.86 NPSR1 (0.40) FFAR1FFAR4HSD17B10MMP2MMP12
SCHEMBL5089563 0.86 NPSR1 (0.40) FFAR1FFAR4HSD17B10MMP2MMP12
SCHEMBL5092719 0.80 TSHR (0.46) FFAR1FFAR4TSHRHSD17B10MMP2
SCHEMBL5092713 0.80 TSHR (0.46) FFAR1FFAR4TSHRHSD17B10MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332623-B2 Aryl-substituted acyclic enediyne compounds KAOHSIUNG MEDICAL UNIVERSITY (TW) 2008-02-19 US disclosed
US-20050004212-A1 Aryl-substituted acyclic enediyne compounds KAOHSIUNG MEDICAL UNIVERSITY 2005-01-06 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-20050004212-A1 Aryl-substituted acyclic enediyne compounds CCNI, TOP2B, TOP2A FFAR1 1803/4885FFAR4 3818/4885TSHR 730/4885

“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.