SCHEMBL812271

SCHEMBL812271

Cc1cc(-c2ccc(Cl)cc2)cc(C)c1C1=C(O)C2(CCCCC2)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.37
ACACA Q13085 5/20 0.37
BRD4 O60885 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
SIGMAR1 Q99720 1/20 0.32
PGR P06401 1/20 0.32
HSD11B1 P28845 3/20 0.31
ALDH1A1 P00352 2/20 0.31
ALPL P05186 1/20 0.30
USP2 O75604 1/20 0.30
PTK2B Q14289 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PSD A5PKW4 1/20 0.30

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
SCHEMBL2349711 0.88 ACACB (0.34) ACACBACACABRD4CNR1CNR2
SCHEMBL2355616 0.84 ACACB (0.50) ACACBACACACNR1CNR2PGR
SCHEMBL2348232 0.83 ACACB (0.51) ACACBACACACNR1CNR2PGR
SCHEMBL2352633 0.82 CNR1 (0.39) ACACBACACABRD4CNR1CNR2
SCHEMBL11989360 0.82 TSHR (0.39) ALDH1A1
SCHEMBL811965 0.80 LMNA (0.37) ALDH1A1ALPLNPSR1
SCHEMBL812209 0.77 ACACB (0.39) ACACBACACABRD4PGRALDH1A1
SCHEMBL811962 0.77 ACACB (0.55) ACACBACACA
SCHEMBL812275 0.76 ALDH1A1 (0.47) ACACBACACAALDH1A1ALPLUSP2
SCHEMBL2356712 0.76 ACACB (0.40) ACACBACACACNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058210-B2 Arylphenyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2011-11-15 US disclosed
US-7718706-B2 Arylphenyl-substituted cyclic keto-enols BAYER AKTIENGESELLSCHAFT (DE) 2010-05-18 US disclosed
US-7718706-B2 Arylphenyl-substituted cyclic keto-enols BAYER AKTIENGESELLSCHAFT (DE) 2010-05-18 US disclosed
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS LIEB FOLKER 2010-04-08 US disclosed
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols LIEB FOLKER 2008-04-03 US disclosed
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols LIEB FOLKER 2008-04-03 US disclosed
US-7288676-B2 Arylphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-10-30 US disclosed
US-7288676-B2 Arylphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-10-30 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 (2 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-20080081807-A1 Arylphenyl-substituted cyclic keto-enols KCNE1, DDT, KCNQ3 ACACB 971/4885ACACA 1353/4885BRD4 2425/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 ACACB 971/4885ACACA 1353/4885BRD4 2425/4885

“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.