SCHEMBL1476544

SCHEMBL1476544

CCc1cc(C)cc(C)c1-c1c(O)c(C)c(-c2cccnc2)oc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 1/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
KCNA3 P22001 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.36
ELANE P08246 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 2/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2B6 P20813 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL3176584 0.82 MAOA (0.41) ACLYMAOAMAOBALDH1A1KCNA3
SCHEMBL9883903 0.82 TSHR (0.38) ACLYMAOAMAOBTSHRLMNA
SCHEMBL1153742 0.81 ACLY (0.39) ACLYMAOAMAOBPOLBCYP3A4
SCHEMBL9883927 0.80 CNR2 (0.39) ALDH1A1POLBMAPTCYP1A2
SCHEMBL2434431 0.79 MAOA (0.43) ACLYMAOAMAOBKCNA3ELANE
SCHEMBL812046 0.79 NPC1 (0.41) ACLYMAOAMAOBPOLBKCNA3
SCHEMBL1812246 0.76 MAOB (0.41) ACLYMAOAMAOBLMNAPOLB
SCHEMBL5232820 0.75 MAOA (0.48) ACLYMAOAMAOBALDH1A1KCNA3
SCHEMBL13097105 0.74 ABL1 (0.37) ACLYMAOAMAOBTSHRLMNA
SCHEMBL7098191 0.70 MAOA (0.41) ACLYMAOAMAOBALDH1A1KCNA3

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673818-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSCHAFT (DE) 2014-03-18 US disclosed
US-8673818-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSCHAFT (DE) 2014-03-18 US disclosed
US-8673818-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSCHAFT (DE) 2014-03-18 US disclosed
US-8334300-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSHAFT (DE) 2012-12-18 US disclosed
US-8334300-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSHAFT (DE) 2012-12-18 US disclosed
US-8334300-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSHAFT (DE) 2012-12-18 US disclosed
US-20120238450-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2012-09-20 US disclosed
US-20120238450-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2012-09-20 US disclosed
US-20120238450-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2012-09-20 US disclosed
US-8193120-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSCHAFT (DE) 2012-06-05 US disclosed
US-20110143943-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2011-06-16 US disclosed
US-20110143943-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2011-06-16 US disclosed
US-7915282-B2 Preparation by intramolecular cyclization BAYER AKTIENGESELLSCHAFT (DE) 2011-03-29 US disclosed
US-7915282-B2 Preparation by intramolecular cyclization BAYER AKTIENGESELLSCHAFT (DE) 2011-03-29 US disclosed
US-7915282-B2 Preparation by intramolecular cyclization BAYER AKTIENGESELLSCHAFT (DE) 2011-03-29 US disclosed
EP-1280770-B1 C 2? PHENYL-SUBSTITUTED CYCLIC KETO-ENOLS USED AS PESTICIDES AND HERBICIDES BAYER AG (DE) 2010-06-23 EP disclosed
EP-1280770-B1 C 2? PHENYL-SUBSTITUTED CYCLIC KETO-ENOLS USED AS PESTICIDES AND HERBICIDES BAYER AG (DE) 2010-06-23 EP disclosed
US-20030216260-A1 C2-phenyl-substituted cyclic keto-enols used as pesticides and herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-11-20 US disclosed
EP-1280770-A1 C 2? PHENYL-SUBSTITUTED CYCLIC KETO-ENOLS USED AS PESTICIDES AND HERBICIDES Bayer Aktiengesellschaft (DE) 2003-02-05 EP disclosed
WO-2001074770-A1 C2 PHENYL-SUBSTITUTED CYCLIC KETO-ENOLS USED AS PESTICIDES AND HERBICIDES BAYER CROPSCIENCE AG (DE) 2001-10-11 WO 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-20030216260-A1 C2-phenyl-substituted cyclic keto-enols used as pesticides and herbicides PDHX, AKR1C3, AKR1A1 ACLY 346/4885MAOA 2861/4885MAOB 2622/4885
US-20110143943-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS AKR1C3, PDHX, AKR1C2 ACLY 256/4885MAOA 2558/4885MAOB 2059/4885
US-20120238450-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS AKR1C3, AKR1C4, AKR1C2 ACLY 1114/4885MAOA 3712/4885MAOB 3725/4885

“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.