SCHEMBL4066718

SCHEMBL4066718

O=C(O)c1ccccc1C#Cc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.48
FFAR1 O14842 1/20 0.48
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GRM5 P41594 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NAPRT Q6XQN6 3/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL3723974 0.86 PTGDR2 (0.49) PTGDR2FFAR1KDM4ETDP1L3MBTL1
SCHEMBL3641138 0.85 NPC1 (0.58) PTGDR2FFAR1KDM4EALDH1A1MAPT
SCHEMBL29409566 0.82 ALDH1A1 (0.62) FFAR1KDM4ETDP1ALDH1A1ALOX15
SCHEMBL69321 0.82 ALDH1A1 (0.62) FFAR1KDM4ETDP1ALDH1A1ALOX15
SCHEMBL4325937 0.80 PTGDR2 (0.44) PTGDR2FFAR1ALDH1A1MAPTMEN1
SCHEMBL16004606 0.80 GRM5 (0.57) GRM5KCNH2
SCHEMBL30526535 0.80 GRM5 (0.57) GRM5KCNH2
SCHEMBL22308159 0.76 PTGDR2 (0.48) PTGDR2FFAR1KDM4EL3MBTL1GRM5
SCHEMBL30119037 0.76 GRM5 (0.57) FFAR1KDM4ETDP1L3MBTL1ALDH1A1
Methyl Alcohol SCHEMBL28902013 0.75 GRM5 (0.67) FFAR1L3MBTL1ALDH1A1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
EP-1375463-A1 OPTICALLY ACTIVE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Kansai Research Institute, Inc. (JP) 2004-01-02 EP disclosed
US-20030211421-A1 Optically active compound and photosensitive resin composition KRI, INC. (JP) 2003-11-13 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-20030211421-A1 Optically active compound and photosensitive resin composition ARCN1, RAD51, PAM PTGDR2 1502/4885FFAR1 1120/4885KDM4E 1317/4885

“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.