SCHEMBL23694064

SCHEMBL23694064

COc1ccc(CCc2ccccc2OCC(O)CN2CCSCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
DRD4 P21917 2/20 0.52
ABCB1 P08183 11/20 0.52
TP53 P04637 1/20 0.51
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP2D6 P10635 2/20 0.48
HTR2A P28223 2/20 0.48

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
SCHEMBL23694066 1.00 MAPT (0.55) MAPTLMNAHTTDRD4ABCB1
SCHEMBL23694065 1.00 MAPT (0.55) MAPTLMNAHTTDRD4ABCB1
SCHEMBL23694447 0.90 KDM4E (0.62) MAPTLMNAHTTDRD4ABCB1
SCHEMBL23694445 0.90 KDM4E (0.62) MAPTLMNAHTTDRD4ABCB1
SCHEMBL23694446 0.90 KDM4E (0.62) MAPTLMNAHTTDRD4ABCB1
SCHEMBL23694639 0.89 KDM4E (0.65) MAPTLMNAHTTABCB1KDM4E
SCHEMBL23694627 0.89 KDM4E (0.65) MAPTLMNAHTTABCB1KDM4E
SCHEMBL23694628 0.89 KDM4E (0.65) MAPTLMNAHTTABCB1KDM4E
SCHEMBL21094953 0.89 CYP2D6 (0.64) ABCB1KDM4ECYP2D6HTR2A
SCHEMBL19912754 0.89 CYP2D6 (0.64) ABCB1KDM4ECYP2D6HTR2A

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 MAPT 3747/4885LMNA 1600/4885HTT 2468/4885

“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.