SCHEMBL18260231

SCHEMBL18260231

Cc1ccccc1C#Cc1ccccc1C=CCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 7/20 0.42
▸ FFAR4 Q5NUL3 2/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ FPR1 P21462 1/20 0.39
▸ FPR3 P25089 1/20 0.39
▸ GPR183 P32249 1/20 0.39
▸ APLNR P35414 1/20 0.39
▸ GPR65 Q8IYL9 1/20 0.39
▸ GRM5 P41594 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ PTPN1 P18031 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ PTGER1 P34995 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ PTGER3 P43115 1/20 0.33
▸ PTGER2 P43116 1/20 0.33
▸ IKBKB O14920 1/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 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
SCHEMBL18260229 1.00 FFAR1 (0.42) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL18260203 0.83 CA12 (0.43) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL18260205 0.83 CA12 (0.43) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL18260217 0.81 ALDH1A1 (0.43) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL18260214 0.81 ALDH1A1 (0.43) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL3165882 0.80 ALDH1A1 (0.46) TSHRPTPN1ALDH1A1PTGER1PTGER4
SCHEMBL4078766 0.80 ALDH1A1 (0.46) TSHRPTPN1ALDH1A1PTGER1PTGER4
SCHEMBL18270038 0.79 KDM4E (0.38) TSHRPTPN1ALDH1A1KDM4EMAPT
SCHEMBL18260224 0.76 TSHR (0.34) FFAR1FFAR4TSHRPTPN1ALDH1A1
SCHEMBL18260227 0.76 TSHR (0.34) FFAR1FFAR4TSHRPTPN1ALDH1A1

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-9708351-B2 Alkenes as alkyne equivalents in radical cascades terminated by fragmentations The Florida State University Research Foundation, Inc. (US) 2017-07-18 — — US disclosed
US-20160347778-A1 ALKENES AS ALKYNE EQUIVALENTS IN RADICAL CASCADES TERMINATED BY FRAGMENTATIONS The Florida State University Research Foundation, Inc. 2016-12-01 — — 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-20160347778-A1 ALKENES AS ALKYNE EQUIVALENTS IN RADICAL CASCADES TERMINATED BY FRAGMENTATIONS AOC3, OR51E2, AOC2 FFAR1 1842/4885FFAR4 1201/4885CHRM2 2411/4885

“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.

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