SCHEMBL5217024

SCHEMBL5217024

COc1ccc(C(=O)C(C)C(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.61
CES1 P23141 2/20 0.61
ALDH1A1 P00352 1/20 0.59
CYP1A2 P05177 1/20 0.59
CA1 P00915 6/20 0.59
CA2 P00918 6/20 0.59
PARP10 Q53GL7 2/20 0.57
PARP1 P09874 1/20 0.57
PARP2 Q9UGN5 1/20 0.57
PARP4 Q9UKK3 1/20 0.57
PLK1 P53350 1/20 0.53
MAPT P10636 2/20 0.52
GSK3B P49841 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 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
SCHEMBL29589535 0.92 CES2 (0.67) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL9369669 0.92 CA1 (0.59) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL28180008 0.91 RAB9A (0.68) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL6554648 0.90 ALDH1A1 (0.64) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL18082660 0.88 PLK1 (0.56) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL9353462 0.88 MAPT (0.66) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL12453 0.87 CES2 (0.61) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL391885 0.87 ALDH1A1 (0.56) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL28419251 0.87 ELANE (0.53) CES2CES1ALDH1A1CYP1A2CA1
SCHEMBL2633871 0.85 CES2 (0.59) CES2CES1ALDH1A1CYP1A2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39708-E1 Estrogen receptor modulators CHIRON CORPORATION (US) 2007-06-26 US disclosed
EP-1102753-B1 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-02-28 EP disclosed
US-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 US disclosed
US-20040077701-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2004-04-22 US disclosed
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION 2004-02-19 US disclosed
US-20020111374-A1 Estrogen receptor modulators CHIRON CORPORATION 2002-08-15 US disclosed
US-6291505-B1 PYRAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-09-18 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 (3 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-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 CES2 3073/4885CES1 801/4885ALDH1A1 3118/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 CES2 3073/4885CES1 801/4885ALDH1A1 3118/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 CES2 3073/4885CES1 801/4885ALDH1A1 3118/4885

“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.