SCHEMBL4595571

SCHEMBL4595571

COc1cc(C(=O)O)cc(C)n1.[Na]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA3 P07451 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ CA5B Q9Y2D0 1/20 0.44
▸ TPMT P51580 2/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41

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
SCHEMBL31550344 0.98 ALDH1A1 (0.58) ALDH1A1KDM4ETDP1LMNACA12
SCHEMBL5365414 0.98 ALDH1A1 (0.58) ALDH1A1KDM4ETDP1LMNACA12
SCHEMBL4595561 0.96 ALDH1A1 (0.56) ALDH1A1KDM4ETDP1LMNACA12
SCHEMBL668838 0.88 KDM4E (0.69) ALDH1A1KDM4ETDP1LMNACA12
SCHEMBL12020886 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1LMNACA5A
SCHEMBL17382046 0.81 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1LMNACA1
SCHEMBL1620578 0.81 ALDH1A1 (0.79) ALDH1A1KDM4ETDP1LMNACA12
SCHEMBL4595564 0.80 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1LMNACA1
SCHEMBL1179149 0.80 TPMT (0.56) ALDH1A1KDM4ETDP1LMNACA12
SCHEMBL1291177 0.79 KDM4E (0.58) ALDH1A1KDM4ETDP1LMNACA12

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 892/4885TDP1 4095/4885

“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.

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