SCHEMBL23694445

SCHEMBL23694445

COc1ccc(CCc2ccccc2OCC(O)CN2CCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
POLB P06746 1/20 0.62
ABCB1 P08183 16/20 0.60
KMT2A Q03164 1/20 0.58
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
DRD4 P21917 1/20 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
SCHEMBL23694447 1.00 KDM4E (0.62) KDM4EPOLBABCB1KMT2ALMNA
SCHEMBL23694446 1.00 KDM4E (0.62) KDM4EPOLBABCB1KMT2ALMNA
SCHEMBL23694639 0.99 KDM4E (0.65) KDM4EPOLBABCB1KMT2ALMNA
SCHEMBL23694627 0.99 KDM4E (0.65) KDM4EPOLBABCB1KMT2ALMNA
SCHEMBL23694628 0.99 KDM4E (0.65) KDM4EPOLBABCB1KMT2ALMNA
SCHEMBL23694062 0.90 POLB (0.56) KDM4EPOLBABCB1LMNAMAPT
SCHEMBL23694061 0.90 POLB (0.56) KDM4EPOLBABCB1LMNAMAPT
SCHEMBL23694063 0.90 POLB (0.56) KDM4EPOLBABCB1LMNAMAPT
SCHEMBL23694065 0.90 MAPT (0.55) KDM4EPOLBABCB1LMNAMAPT
SCHEMBL23694634 0.90 ABCB1 (0.64) ABCB1KMT2ALMNAMAPTHTT

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-20210228508-A1 COMPOSITIONS AND METHODS THEREOF Exciva GmbH 2021-07-29 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-20210228508-A1 COMPOSITIONS AND METHODS THEREOF CYP21A2, CYP2C19, CYP2F1 KDM4E 4018/4885POLB 2046/4885ABCB1 98/4885

“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.