SCHEMBL18260174

SCHEMBL18260174

OC/C=C/c1ccccc1C#Cc1cccs1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.36
▸ ERN1 O75460 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ PTPN1 P18031 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PTGER1 P34995 1/20 0.30
▸ PTGER4 P35408 1/20 0.30
▸ PTGER3 P43115 1/20 0.30
▸ PTGER2 P43116 1/20 0.30

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
SCHEMBL18260175 1.00 FFAR1 (0.36) FFAR1ERN1GRM5PTPN1ALDH1A1
SCHEMBL18260214 0.76 ALDH1A1 (0.43) FFAR1PTPN1ALDH1A1HPGDRAB9A
SCHEMBL18260217 0.76 ALDH1A1 (0.43) FFAR1PTPN1ALDH1A1HPGDRAB9A
SCHEMBL15896161 0.76 ERN1 (0.47) FFAR1ERN1GRM5ALDH1A1HPGD
SCHEMBL30864329 0.76 ERN1 (0.47) FFAR1ERN1GRM5ALDH1A1HPGD
SCHEMBL18260229 0.75 FFAR1 (0.42) FFAR1GRM5PTPN1ALDH1A1PTGER1
SCHEMBL18260231 0.75 FFAR1 (0.42) FFAR1GRM5PTPN1ALDH1A1PTGER1
SCHEMBL18260205 0.72 CA12 (0.43) FFAR1GRM5ALDH1A1HPGD
SCHEMBL18260203 0.72 CA12 (0.43) FFAR1GRM5ALDH1A1HPGD
SCHEMBL18260227 0.72 TSHR (0.34) FFAR1PTPN1ALDH1A1HPGD

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
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-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-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
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
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 1842/4885ERN1 1009/4885GRM5 3281/4885

“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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