SCHEMBL22914874

SCHEMBL22914874

Oc1c(/C=N/c2ccc3ccccc3c2-c2c(/N=C/c3ccc4ccccc4c3O)ccc3ccccc23)ccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.58
MAPT P10636 8/20 0.58
ALDH1A1 P00352 3/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
THRB P10828 2/20 0.58
TDP2 O95551 1/20 0.58
HPGD P15428 1/20 0.58
RECQL P46063 1/20 0.58
L3MBTL1 Q9Y468 8/20 0.55
POLB P06746 3/20 0.55
MEN1 O00255 9/20 0.49
DHODH Q02127 1/20 0.49
ATM Q13315 2/20 0.47
APAF1 O14727 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
KDM4E B2RXH2 6/20 0.45
GAA P10253 3/20 0.45
TDP1 Q9NUW8 3/20 0.45

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
SCHEMBL30704461 1.00 KMT2A (0.58) KMT2AMAPTALDH1A1CASP1CASP7
SCHEMBL13051325 0.86 POLB (0.76) KMT2AMAPTALDH1A1CASP1CASP7
SCHEMBL27214734 0.84 CA12 (0.61) KMT2AMAPTALDH1A1THRBTDP2
SCHEMBL12786273 0.84 CA12 (0.61) KMT2AMAPTALDH1A1THRBTDP2
SCHEMBL29862789 0.84 CA12 (0.61) KMT2AMAPTALDH1A1THRBTDP2
SCHEMBL22914890 0.82 L3MBTL1 (0.48) KMT2AMAPTALDH1A1CASP1CASP7
SCHEMBL30704453 0.82 L3MBTL1 (0.48) KMT2AMAPTALDH1A1CASP1CASP7
SCHEMBL12786260 0.80 CA12 (0.56) KMT2AMAPTALDH1A1THRBRECQL
SCHEMBL14337489 0.80 KMT2A (0.64) KMT2AMAPTALDH1A1CASP1CASP7
SCHEMBL11770105 0.78 MAPT (0.54) KMT2AMAPTALDH1A1CASP1CASP7

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-20210024479-A1 SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES FOR THE PRODUCTION OF ALPHA,ALPHA-DISUBSTITUTED BETA-LACTONES CORNELL UNIVERSITY 2021-01-28 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-20210024479-A1 SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES FOR THE PRODUCTION OF ALPHA,ALPHA-DISUBSTITUTED BETA-LACTONES DCXR, CBR3, CBR1 KMT2A 3343/4885MAPT 2655/4885ALDH1A1 303/4885

“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.