SCHEMBL1476733

SCHEMBL1476733

CCOC(=O)C1CCCCC1C(=O)Cc1c(C)cc(CC)cc1CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TP53 P04637 2/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
CA12 O43570 3/20 0.34
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL2687043 0.89 TAS1R3 (0.36) ALDH1A1TP53GAACYP2D6CYP2C19
SCHEMBL8022828 0.83 TP53 (0.39) TP53TAS1R3TAS1R1CYP3A4KDM4E
SCHEMBL8708085 0.81 POLB (0.40) ALDH1A1TP53GAATAS1R3TAS1R1
SCHEMBL2685787 0.79 EPHX2 (0.36) ALDH1A1GAATAS1R3TAS1R1SMN1; SMN2
SCHEMBL2685782 0.79 EPHX2 (0.36) ALDH1A1GAATAS1R3TAS1R1SMN1; SMN2
SCHEMBL2685781 0.79 EPHX2 (0.36) ALDH1A1GAATAS1R3TAS1R1SMN1; SMN2
SCHEMBL3174224 0.79 TAS1R3 (0.35) ALDH1A1TP53GAATAS1R3TAS1R1
SCHEMBL8703906 0.78 POLB (0.39) ALDH1A1GAACA1CA2CA9
SCHEMBL2431064 0.78 MAPT (0.35) ALDH1A1TP53GAATAS1R3TAS1R1
SCHEMBL14382020 0.77 ATM (0.42) ALDH1A1TAS1R3TAS1R1SMN1; SMN2L3MBTL1

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 ALDH1A1 1381/4885TP53 3440/4885GAA 1340/4885
US-20110143943-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS AKR1C3, PDHX, AKR1C2 ALDH1A1 2150/4885TP53 3069/4885GAA 1327/4885
US-20120238450-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS AKR1C3, AKR1C4, AKR1C2 ALDH1A1 1620/4885TP53 1937/4885GAA 2486/4885

“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.