SCHEMBL22945795

SCHEMBL22945795

CCCNC1CCCC(C2CCCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAD52 P43351 1/20 0.37
CXCR4 P61073 2/20 0.36
CXCL12 P48061 1/20 0.36
GNAI3 P08754 2/20 0.34
GNAO1 P09471 2/20 0.34
GNAI1 P63096 2/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL21844539 0.98 EPHX1 (0.43) EPHX1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL26718738 0.94 GNAI3 (0.37) EPHX1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL3686292 0.87 EPHX1 (0.50) EPHX1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL3140310 0.87 EPHX1 (0.50) EPHX1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL19993065 0.87 GNAI3 (0.41) CYP1A2CYP2D6CYP2C19GNAI3GNAO1
SCHEMBL23348055 0.87 EPHX1 (0.50) EPHX1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL24115531 0.87 EPHX1 (0.50) EPHX1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL13964480 0.87 EPHX1 (0.50) EPHX1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL26069 0.87 EPHX1 (0.50) EPHX1KDM4EALDH1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL1356285 0.85 EPHX1 (0.48) EPHX1KDM4EALDH1A1CYP1A2CYP2D6

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-20210030832-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-04 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-20210030832-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BTK, CBL, SYK EPHX1 2162/4885KDM4E 703/4885ALDH1A1 3739/4885

“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.