SCHEMBL20436306

SCHEMBL20436306

CN(C)c1ccc2ccccc2c1-c1c(NC(=O)N2CCCC2C(=O)O)ccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.55
▸ ITGB1 P05556 1/20 0.55
▸ ITGAV P06756 1/20 0.55
▸ ITGA5 P08648 1/20 0.55
▸ ITGA4 P13612 1/20 0.55
▸ KMT2A Q03164 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ CFD P00746 1/20 0.42
▸ TACR1 P25103 7/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ATM Q13315 1/20 0.39

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
SCHEMBL20436312 0.88 ITGB3 (0.60) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL20436304 0.78 ITGB3 (0.68) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL20436307 0.78 ITGB3 (0.48) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL4125057 0.74 ALDH1A1 (0.47) KMT2AALDH1A1MEN1
SCHEMBL12348758 0.72 ROCK2 (0.41) KMT2AALDH1A1CYP2C19MEN1SMN1; SMN2
SCHEMBL4186674 0.70 KMT2A (0.76) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL5105015 0.70 ITGB3 (0.72) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL20436313 0.70 ALDH1A1 (0.36) KMT2AALDH1A1MEN1
SCHEMBL24200375 0.69 ITGB3 (0.74) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL19286172 0.68 ALDH1A1 (0.47) KMT2AALOX12ALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11327060-B2 Method for analyzing enantiomer AJINOMOTO CO., INC. (JP) 2022-05-10 — — US disclosed
EP-3358346-B1 ENANTIOMER ANALYSIS METHOD AJINOMOTO KK (JP) 2022-01-19 — — EP disclosed
US-20180217113-A1 METHOD FOR ANALYZING ENANTIOMER AJINOMOTO CO., INC. (JP) 2018-08-02 — — US disclosed
US-20180217113-A1 METHOD FOR ANALYZING ENANTIOMER AJINOMOTO CO., INC. (JP) 2018-08-02 — — 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 (2 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-11327060-B2 Method for analyzing enantiomer DCX, INF2, SRD5A2 ITGB3 4498/4885ITGB1 4615/4885ITGAV 4755/4885
US-20180217113-A1 METHOD FOR ANALYZING ENANTIOMER DCX, INF2, SRD5A2 ITGB3 4498/4885ITGB1 4615/4885ITGAV 4755/4885

“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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