SCHEMBL13247263

SCHEMBL13247263

Cc1ccc(C#Cc2ccc(/C=C/c3ccc(C#Cc4ccc(C)cc4)s3)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.40
GRM5 P41594 2/20 0.40
MMP2 P08253 2/20 0.40
CA12 O43570 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA1 P00915 2/20 0.38
KCNH2 Q12809 2/20 0.38
ALDH1A1 P00352 2/20 0.34
CYP2A6 P11509 1/20 0.34
FFAR1 O14842 2/20 0.34
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 3/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 2/20 0.32
LMNA P02545 2/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
POLB P06746 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
SCHEMBL10037383 0.85 NFE2L2 (0.44) CA1CYP2A6MAPTNPC1PTGS1
SCHEMBL14540195 0.79 GRM5 (0.44) MMP9GRM5MMP2CA12CA2
SCHEMBL13247266 0.77 KIF11 (0.37) GRM5PTGS1
SCHEMBL13247267 0.76 GRM5 (0.36) MMP9GRM5MMP2CA12CA2
SCHEMBL13247259 0.76 CYP2A6 (0.40) MMP9GRM5MMP2CA12CA2
SCHEMBL23665601 0.74 DPP4 (0.33) KMT2APTGS1PTGS2
SCHEMBL13247271 0.73 GRM5 (0.33) MMP9GRM5MMP2CA12CA2
SCHEMBL9445826 0.72 GRM5 (0.64) GRM5CA12CA2CA9CA1
SCHEMBL4457730 0.72 GRM5 (0.64) GRM5CA12CA2CA9CA1
SCHEMBL23665548 0.70 PTGS1 (0.45) ALDH1A1MEN1KMT2AHTTMAPT

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-20100187514-A1 ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM LIGHT- EMITTING TRANSISTOR IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 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-20100187514-A1 ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM LIGHT- EMITTING TRANSISTOR SOAT2, TECR, FAR1 MMP9 3852/4885GRM5 4602/4885MMP2 4277/4885

“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.