SCHEMBL13056099

SCHEMBL13056099

Cc1cc(=O)oc2cc(NC(=O)OCc3ccc(C4=CCCO4)cc3)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.61
ALDH1A1 P00352 8/20 0.61
HPGD P15428 6/20 0.61
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
NPC1 O15118 4/20 0.61
HSD17B10 Q99714 2/20 0.61
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA9 Q16790 3/20 0.53
TDP1 Q9NUW8 2/20 0.49
GAA P10253 3/20 0.48
GLA P06280 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL11888139 0.84 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL26499781 0.83 KDM4E (0.73) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL118223 0.80 KDM4E (0.62) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL26499365 0.80 KDM4E (0.67) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL120736 0.78 ALDH1A1 (0.67) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL12987100 0.77 ALDH1A1 (1.00) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL120365 0.75 RAB9A (0.60) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3443406 0.75 KDM4E (0.59) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3443407 0.75 KDM4E (0.59) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL25497892 0.74 ALDH1A1 (0.58) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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-8283340-B2 Treatment or prophylaxis of proliferative conditions The University of the University of Dundee (GB) 2012-10-09 US disclosed
US-20100305070-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2010-12-02 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-20100305070-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS BRCA1, CYP1B1, UGT1A1 KDM4E 4346/4885ALDH1A1 35/4885HPGD 132/4885

“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.