SCHEMBL4600423

SCHEMBL4600423

COC(=O)c1cc(OC)nc(C2CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
KDM4E B2RXH2 2/20 0.67
HSD17B10 Q99714 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
XDH P47989 1/20 0.40
GFER P55789 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL2670935 0.94 ALDH1A1 (0.63) ALDH1A1KDM4EHSD17B10CA1CA2
SCHEMBL21200017 0.83 KDM4E (0.46) ALDH1A1KDM4EHSD17B10CA1CA2
SCHEMBL29866777 0.83 KDM4E (0.46) ALDH1A1KDM4EHSD17B10CA1CA2
SCHEMBL20186726 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10CA1CA2
SCHEMBL18669439 0.81 CNR2 (0.44) ALDH1A1KDM4EL3MBTL1POLBTDP1
SCHEMBL1425163 0.80 ALDH1A1 (0.47) ALDH1A1KDM4ECA1CA2CA12
SCHEMBL21200353 0.80 KDM4E (0.47) ALDH1A1KDM4EHSD17B10CA1CA2
SCHEMBL24860844 0.79 TAS1R3 (0.44) ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1
SCHEMBL2671247 0.79 ALDH1A1 (0.42) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL2670654 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1122242-B1 CYANOPHENYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-01-16 EP disclosed
US-20040010037-A1 Cyanophenyl derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2004-01-15 US disclosed
US-6673799-B1 INHIBITS BINDING TO ANDROGEN RECEPTOR; ANTIANDROGEN YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-01-06 US disclosed
EP-1122242-A1 CYANOPHENYL DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2001-08-08 EP 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-20040010037-A1 Cyanophenyl derivative BPHL, AR, KLK3 ALDH1A1 1496/4885KDM4E 892/4885HSD17B10 209/4885

“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.