SCHEMBL1059588

SCHEMBL1059588

COc1ccc(C(=O)C2=CC=CC2=C(O)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.50
▸ CES2 O00748 2/20 0.49
▸ CES1 P23141 2/20 0.49
▸ CA1 P00915 4/20 0.47
▸ CA2 P00918 4/20 0.47
▸ MAPT P10636 3/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ PLK1 P53350 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.42
▸ PARP2 Q9UGN5 1/20 0.42
▸ PARP4 Q9UKK3 1/20 0.42

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
SCHEMBL12892543 1.00 HPGD (0.50) HPGDCES2CES1CA1CA2
SCHEMBL12810008 0.79 SRD5A2 (0.51) MAPTKMT2ARAB9AMEN1LMNA
SCHEMBL1135097 0.76 NPC1 (0.52) MAPTKMT2ARAB9AMEN1LMNA
SCHEMBL9418310 0.72 RXFP1 (0.79) HPGDCES2CES1CA1CA2
SCHEMBL51509 0.72 RXFP1 (0.79) HPGDCES2CES1CA1CA2
SCHEMBL2129171 0.69 CA1 (0.87) HPGDCES2CES1CA1CA2
SCHEMBL50261 0.69 CES2 (0.77) HPGDCES2CES1CA1CA2
SCHEMBL6618691 0.69 CES2 (0.77) HPGDCES2CES1CA1CA2
Benzophenone SCHEMBL27935236 0.69 CES2 (0.77) HPGDCES2CES1CA1CA2
Ethyne SCHEMBL8195983 0.68 RXFP1 (0.73) HPGDCES2CES1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530592-B2 Catalyst components based on fulvene complexes TOTAL RESEARCH & TECHNOLOGY FELUY (BE) 2013-09-10 — — US disclosed
US-20110034653-A1 Catalyst Components Based on Fulvene Complexes TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2011-02-10 — — US disclosed
EP-2167518-B1 CATALYST COMPONENTS BASED ON FULVENE COMPLEXES TOTAL PETROCHEMICALS RES FELUY (BE) 2011-01-05 — — EP disclosed
EP-2167518-A2 CATALYST COMPONENTS BASED ON FULVENE COMPLEXES Total Petrochemicals Research Feluy (BE) 2010-03-31 — — EP disclosed
WO-2009013194-A2 CATALYST COMPONENTS BASED ON FULVENE COMPLEXES TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2009-01-29 — — WO disclosed
EP-2019111-A1 Catalyst components based on fulvene complexes TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2009-01-28 — — 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-20110034653-A1 Catalyst Components Based on Fulvene Complexes ESR1, ESR2, ETFB HPGD 1996/4885CES2 2859/4885CES1 3303/4885

“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.

Send feedback