SCHEMBL23988428

SCHEMBL23988428

O=P(O)(O)CCNCC(O)COCCCS(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR5 Q9H1C0 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ANPEP P15144 2/20 0.31
ERAP2 Q6P179 1/20 0.31
ADRB1 P08588 1/20 0.31
S1PR2 O95136 5/20 0.30
S1PR4 O95977 5/20 0.30
S1PR1 P21453 5/20 0.30
S1PR3 Q99500 5/20 0.30
S1PR5 Q9H228 1/20 0.30
ADRB2 P07550 1/20 0.30
HTR1A P08908 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
SCHEMBL23988535 0.87 LPAR5 (0.35) LPAR5KDM4E
SCHEMBL19660808 0.87 KDM4E (0.38) KDM4EADRB1ADRB2HTR1A
SCHEMBL23988563 0.87 KDM4E (0.38) KDM4EADRB1ADRB2HTR1A
SCHEMBL23837976 0.84 APP (0.40) KDM4EANPEPADRB2HTR1A
SCHEMBL19198573 0.84 KDM4E (0.36) KDM4EADRB2HTR1A
SCHEMBL29320909 0.82 CA12 (0.38) LPAR5KDM4EADRB1ADRB2
SCHEMBL18545280 0.82 APP (0.38) KDM4EANPEPADRB2HTR1A
SCHEMBL23988566 0.82 KDM4E (0.34) KDM4EADRB1ADRB2HTR1A
SCHEMBL29313966 0.81 LPAR5 (0.50) LPAR5KDM4EANPEPERAP2S1PR2
SCHEMBL23988525 0.81 KDM4E (0.38) KDM4EADRB2HTR1A

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-20210340404-A1 SILANOL COMPOSITIONS AND METHODS OF USE 3M INNOVATIVE PROPERTIES COMPANY 2021-11-04 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-20210340404-A1 SILANOL COMPOSITIONS AND METHODS OF USE EPCAM, ITGA8, CD99 LPAR5 3116/4885KDM4E 985/4885ANPEP 635/4885

“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.