SCHEMBL2811691

SCHEMBL2811691

Sc1ccc(C#CC2CCCCC2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.47
▸ PGK1 P00558 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ GRM5 P41594 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CREBBP Q92793 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ FFAR1 O14842 2/20 0.33
▸ FFAR4 Q5NUL3 2/20 0.33
▸ AR P10275 1/20 0.31
▸ PDGFRB P09619 1/20 0.30
▸ PDGFRA P16234 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
SCHEMBL9152622 0.76 GRM5 (0.49) KCNH2GRM5CYP1A2CREBBPBRD4
SCHEMBL11246729 0.76 GRM5 (0.49) KCNH2GRM5CYP1A2CREBBPBRD4
SCHEMBL11236538 0.74 GRM5 (0.46) PGK1KCNH2GRM5CYP1A2CREBBP
SCHEMBL31125221 0.71 CYP3A4 (0.42) PGK1
SCHEMBL2806703 0.70 KCNH2 (0.47) KCNH2GRM5CYP1A2CREBBPBRD4
SCHEMBL11235967 0.69 GRM5 (0.49) KCNH2GRM5CYP1A2CREBBPBRD4
SCHEMBL2811696 0.69 FFAR1 (0.36) KCNH2GRM5CYP1A2FFAR1FFAR4
SCHEMBL21722829 0.68 NOS2 (0.41) PGK1
SCHEMBL1921609 0.67 GABRA1 (0.40) PGK1
SCHEMBL11237060 0.67 KCNH2 (0.51) KCNH2GRM5CYP1A2CREBBPBRD4

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-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 — — US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 — — EP 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B TRPV4 2447/4885PGK1 3615/4885KCNH2 382/4885

“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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