SCHEMBL6693650

SCHEMBL6693650

COc1cc(C)c(C(=O)c2c(C)cccc2C)c(OCc2ccccc2)c1OC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
BCHE P06276 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
KCNA3 P22001 1/20 0.44
PTPN1 P18031 1/20 0.43
APP P05067 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL7599536 0.91 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DMRGPRX4
SCHEMBL8465351 0.90 PDE4D (0.47) PDE4APDE4BPDE4CPDE4DMRGPRX4
SCHEMBL7517816 0.88 ADCYAP1R1 (0.46) PDE4APDE4BPDE4CPDE4DMRGPRX4
SCHEMBL7044465 0.87 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DKCNA3
SCHEMBL7519964 0.84 KRAS (0.47) PTPN1LMNAHPGD
SCHEMBL6877711 0.82 PTPN1 (0.48) PDE4APDE4BPDE4CPDE4DPTPN1
SCHEMBL7626410 0.81 KMT2A (0.43) LMNAHPGD
SCHEMBL7597538 0.81 KRAS (0.46) PDE4APDE4BPDE4CPDE4DATM
SCHEMBL7602839 0.80 ALDH1A1 (0.42) LMNAHPGDATM
SCHEMBL7521268 0.80 ATM (0.43) PDE4APDE4BPDE4CPDE4DMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734202-B2 SYNERGISTIC MIXTURE OF BENZOPHENONE(S) OF GIVEN FORMULA, AND FUNGICIDAL STROBILURINE DERIVATIVE BASF AKTIENGESELLSCHAFT (DE) 2004-05-11 US claimed
US-6521628-B1 Such as 5-bromo-2',6-dimethyl-2,4',5',6'-tetramethoxybenzo-phenone and 5-chloro-6-(2,4,6-trifluorophenyl)-7-(1,1,1 -(trifluoro)propylamino)(1,2,4)triazolo(1,5-a)pyrimidine BASF AKTIENGESELLSCHAFT (DE) 2003-02-18 US claimed
US-6498194-B2 SYNERGISTIC MIXTURE OF BENZOPHENONE(S) OF GIVEN FORMULA, AND FUNGICIDAL ACTIVE INGREDIENTS SELECTED FROM CATEGORIES INCLUDING ERGOSTEROL OR MELANIN BIOSYTHESIS INHIBITORS, A STROBILURINE DERIVATIVE, AND AZOLOPYRIMIDINES BASF AKTIENGSELLSCHAFT (DE) 2002-12-24 US claimed
US-20020099063-A1 Fungicidal mixtures AMERICAN CYANAMID COMPANY (US) 2002-07-25 US claimed
US-20020099062-A1 Fungicidal mixtures AMERICAN CYANAMID COMPANY (US) 2002-07-25 US claimed
US-20020065313-A1 Fungicidal mixtures BASF AKTIENGESELLSCHAFT (DE) 2002-05-30 US claimed
US-6346535-B1 Fungicidal mixtures AMERICAN CYANAMID COMPANY 2002-02-12 US claimed
EP-1023834-A1 Fungicidal mixtures American Cyanamid Company (US) 2000-08-02 EP claimed
EP-1023832-B1 Aqueous suspension concentrate BASF AG (DE) 2004-11-17 EP disclosed
US-6613806-B1 Adding adjuvants which reduce surface tension, selected from alkoxylated alcohols, amines or acids; water-immiscible polar aprotic solvents; alkyl polyglycosides, polyvinylpyrrolidones, alkenylsuccinic acids, sulfosuccinates, perfluoro compounds BASF CORPORATION 2003-09-02 US disclosed
US-6596775-B2 Fungicides BASF AKTIENGESELLSCHAFT (DE) 2003-07-22 US disclosed
US-20030060514-A1 Aqueous suspension concentrate BASF AKTIENGESELLSCHAFT (DE) 2003-03-27 US disclosed
US-20020155518-A1 Method of detecting compounds that control fungal diseases via effects on sporulation BASF AKTIENGESELLSCHAFT (DE) 2002-10-24 US disclosed
US-6383984-B1 AQUEOUS, CONCENTRATED SUSPENSION FOR CROP PROTECTION ACTIVE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-05-07 US disclosed
US-20020028778-A1 Enhancement of the efficacy of benzoylbenzenes AVEN MICHAEL (DE) 2002-03-07 US disclosed
EP-1023834-A1 Fungicidal mixtures American Cyanamid Company (US) 2000-08-02 EP disclosed
EP-1023835-A1 Enhancement of the efficacy of benzoylbenzenes American Cyanamid Company (US) 2000-08-02 EP disclosed
EP-1023832-A1 Aqueous suspension concentrate American Cyanamid Company (US) 2000-08-02 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 (5 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-20020099063-A1 Fungicidal mixtures DDT, CYP2D6, CYP1B1 PDE4A 2745/4885PDE4B 2112/4885PDE4C 2977/4885
US-20020028778-A1 Enhancement of the efficacy of benzoylbenzenes GABRB1, GABBR1, FOXM1 PDE4A 4782/4885PDE4B 4552/4885PDE4C 4662/4885
US-20020065313-A1 Fungicidal mixtures CYP1B1, CYP51A1, CYP3A7 PDE4A 3272/4885PDE4B 2713/4885PDE4C 3616/4885
US-20020099062-A1 Fungicidal mixtures DDT, CYP2D6, CYP1B1 PDE4A 2745/4885PDE4B 2112/4885PDE4C 2977/4885
US-20030060514-A1 Aqueous suspension concentrate SGMS2, SGMS1, SCD PDE4A 2815/4885PDE4B 2159/4885PDE4C 2292/4885

“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.