SCHEMBL22872003

SCHEMBL22872003

COc1ccc2c(CC(=O)C(C)C)cc(=O)oc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.76
LCK P06239 1/20 0.76
ALDH1A1 P00352 7/20 0.74
HPGD P15428 4/20 0.74
CYP2D6 P10635 3/20 0.64
CYP19A1 P11511 1/20 0.58
CA12 O43570 5/20 0.58
CA1 P00915 5/20 0.58
CA2 P00918 5/20 0.58
CA9 Q16790 5/20 0.58
CA3 P07451 1/20 0.58
CA4 P22748 1/20 0.58
CA5A P35218 1/20 0.58
CA7 P43166 1/20 0.58
CA14 Q9ULX7 1/20 0.58
CA5B Q9Y2D0 1/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
HSD17B10 Q99714 2/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL22871913 0.91 KDM4E (0.71) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL246218 0.86 KDM4E (1.00) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL29397959 0.86 KDM4E (1.00) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL12221062 0.86 KDM4E (0.80) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL4929657 0.85 KDM4E (0.78) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL30050571 0.83 KDM4E (0.70) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL22871876 0.83 KDM4E (0.74) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL20844616 0.83 KDM4E (0.67) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL13839157 0.82 AKR1B1 (0.72) KDM4ELCKALDH1A1HPGDCA12
SCHEMBL67779 0.82 CYP2D6 (0.72) KDM4ELCKALDH1A1HPGDCYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220308043-A1 FLUORESCENT PROBES FOR IDENTIFICATION AND QUANTIFICATION OF HEPATIC TRANSPORTERS IN VITRO AND IN VIVO CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-09-29 US disclosed
US-10889611-B2 Sialyltransferase inhibitors and uses thereof ACADEMIA SINICA (TW) 2021-01-12 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 (2 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-10889611-B2 Sialyltransferase inhibitors and uses thereof ST6GAL1, NEU1, GALNT1 KDM4E 4044/4885LCK 1019/4885ALDH1A1 1642/4885
US-20220308043-A1 FLUORESCENT PROBES FOR IDENTIFICATION AND QUANTIFICATION OF HEPATIC TRANSPORTERS IN VITRO AND IN VIVO ABCB11, SLC10A1, SLC10A2 KDM4E 4836/4885LCK 4735/4885ALDH1A1 1568/4885

“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.