SCHEMBL12640629

SCHEMBL12640629

Cc1c(N)cc(C(=O)O)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
MAPT P10636 6/20 0.52
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA7 P43166 4/20 0.52
CA9 Q16790 4/20 0.52
CA14 Q9ULX7 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
CA4 P22748 3/20 0.52
CA6 P23280 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CA3 P07451 2/20 0.52
CA5A P35218 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL988442 0.87 TPMT (0.54) KDM4EMAPTCA12CA1CA2
SCHEMBL1919748 0.84 CA12 (0.64) KDM4EMAPTCA12CA1CA2
SCHEMBL11305809 0.83 PRKCI (0.47) KDM4EMAPTCA2TDP1ALDH1A1
Water SCHEMBL4387068 0.82 CA12 (0.61) KDM4EMAPTCA12CA1CA2
Water SCHEMBL4387073 0.82 CA12 (0.61) KDM4EMAPTCA12CA1CA2
SCHEMBL3252847 0.81 KDM4E (0.48) KDM4EMAPTCA12CA1CA2
SCHEMBL2890085 0.79 KDM4E (0.68) KDM4EMAPTTDP1ALDH1A1HPGD
SCHEMBL3684356 0.78 CA12 (0.56) KDM4EMAPTCA12CA1CA2
SCHEMBL4269298 0.78 CA12 (0.70) KDM4EMAPTCA12CA1CA2
SCHEMBL13199302 0.78 CA12 (0.56) KDM4EMAPTCA12CA1CA2

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-20110160175-A1 18,21-Didesoxymacbecin Derivatives for the Treatment of Cancer MARTIN CHRISTINE 2011-06-30 US disclosed
WO-2008056189-A1 18, 21-DIDESOXYMACBECIN DERIVATIVES FOR THE TREATMENT OF CANCER BIOTICA TECHNOLOGY LIMITED (GB) 2008-05-15 WO 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-20110160175-A1 18,21-Didesoxymacbecin Derivatives for the Treatment of Cancer BCL3, CD22, MEN1 KDM4E 2473/4885MAPT 1295/4885CA12 1666/4885

“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.