SCHEMBL23915960

SCHEMBL23915960

C=C1C=C(COC(C)=O)c2ccc(N(CC)CC)cc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 8/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
MAOB P27338 3/20 0.36
ATM Q13315 3/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 7/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
SLC16A3 O15427 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
SCHEMBL23957887 0.84 CA12 (0.37) CA12CA9MAPTKMT2AMEN1
SCHEMBL23957878 0.81 CA12 (0.35) CA12CA9MAPTKMT2AMEN1
SCHEMBL23957884 0.80 KMT2A (0.35) CA12CA9MAPTKMT2AMEN1
SCHEMBL24860265 0.79 S100B (0.36) CA12CA9MAPTKMT2AMEN1
SCHEMBL12994693 0.74 S100B (0.39) CA12CA9MAPTKMT2AMEN1
SCHEMBL29919343 0.69 ALDH1A1 (0.44) CA12CA9MAPTKMT2AMEN1
SCHEMBL24710860 0.69 ALDH1A1 (0.44) CA12CA9MAPTKMT2AMEN1
SCHEMBL25140741 0.67 CA12 (0.33) CA12CA9
SCHEMBL7802423 0.64 MAOB (0.49) CA12CA9MAPTKMT2AMEN1
SCHEMBL7801117 0.64 MAOB (0.49) CA12CA9MAPTKMT2AMEN1

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-20210317429-A1 METHODS AND COMPOSITIONS FOR OPTOCHEMICAL CONTROL OF CRISPR-CAS9 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-10-14 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-20210317429-A1 METHODS AND COMPOSITIONS FOR OPTOCHEMICAL CONTROL OF CRISPR-CAS9 DCLRE1B, DNASE1, ZFR CA12 3417/4885CA9 2498/4885MAPT 1287/4885

“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.