SCHEMBL3761535

SCHEMBL3761535

C#Cc1ccc(-c2cc(=O)oc3cc(N(CC)CC)ccc23)cc1.c1cc2ccc1-2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.56
▸ IGLV6-57 P01721 5/20 0.56
▸ GLA P06280 5/20 0.56
▸ L3MBTL1 Q9Y468 5/20 0.56
▸ HPGD P15428 4/20 0.56
▸ ATM Q13315 4/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ CASP1 P29466 3/20 0.56
▸ CASP7 P55210 3/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ HIF1A Q16665 2/20 0.56
▸ KDM4E B2RXH2 6/20 0.55
▸ TDP1 Q9NUW8 5/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ MAPT P10636 4/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55

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
SCHEMBL2687253 0.85 ALDH1A1 (0.55) ALDH1A1IGLV6-57GLAL3MBTL1HPGD
SCHEMBL3751339 0.84 ALDH1A1 (0.60) ALDH1A1IGLV6-57GLAL3MBTL1HPGD
SCHEMBL2687125 0.83 ALDH1A1 (0.61) ALDH1A1IGLV6-57GLAL3MBTL1HPGD
SCHEMBL14437121 0.83 ALDH1A1 (0.64) ALDH1A1IGLV6-57GLAL3MBTL1HPGD
SCHEMBL16098422 0.81 NOD2 (0.64) ALDH1A1IGLV6-57GLAL3MBTL1HPGD
SCHEMBL3761590 0.77 NOD2 (0.62) ALDH1A1HPGDCYP3A4HSD17B10KDM4E
SCHEMBL15215856 0.76 CA9 (0.47) ALDH1A1HPGDKDM4ELMNACA12
SCHEMBL6690441 0.73 ALDH1A1 (0.73) ALDH1A1IGLV6-57GLAL3MBTL1HPGD
SCHEMBL29362472 0.73 ALDH1A1 (1.00) ALDH1A1IGLV6-57GLAL3MBTL1HPGD
SCHEMBL384286 0.73 ALDH1A1 (1.00) ALDH1A1IGLV6-57GLAL3MBTL1HPGD

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-20100298573-A1 FLUORESCENT AGENT HAVING ETHYNYL GROUP NIPPON CHEMICAL WORKS CO., LTD (JP) 2010-11-25 — — 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-20100298573-A1 FLUORESCENT AGENT HAVING ETHYNYL GROUP IK, CCNE1, TAS2R45 ALDH1A1 105/4885IGLV6-57 1222/4885GLA 1271/4885

“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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