SCHEMBL23988529

SCHEMBL23988529

O=C(O)CCNCC(O)COCCCS(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.34
ADRB2 P07550 2/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR1A P08908 1/20 0.32
PLA2G2C Q5R387 1/20 0.32
ATM Q13315 1/20 0.31
LTA4H P09960 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL23988534 0.89 KDM4E (0.35) CYP1A2ADRB2ADRB1ADRB3KDM4E
SCHEMBL19660808 0.87 KDM4E (0.38) CYP1A2ADRB2ADRB1ADRB3KDM4E
SCHEMBL23988563 0.87 KDM4E (0.38) CYP1A2ADRB2ADRB1ADRB3KDM4E
SCHEMBL19198573 0.84 KDM4E (0.36) ADRB2KDM4EHTR1AALDH1A1
SCHEMBL23837976 0.84 APP (0.40) CYP1A2ADRB2KDM4ECYP3A4CYP2C19
SCHEMBL23988618 0.83 KDM4E (0.33) CYP1A2ADRB2KDM4ECYP3A4CYP2C19
SCHEMBL18545280 0.82 APP (0.38) CYP1A2ADRB2KDM4ECYP3A4CYP2C19
SCHEMBL23988566 0.82 KDM4E (0.34) CYP1A2ADRB2ADRB1ADRB3KDM4E
SCHEMBL23988525 0.81 KDM4E (0.38) CYP1A2ADRB2KDM4ECYP3A4CYP2C19
SCHEMBL23988428 0.81 LPAR5 (0.35) ADRB2ADRB1KDM4EHTR1A

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 CYP1A2 1429/4885ADRB2 3522/4885ADRB1 3805/4885

“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.