SCHEMBL811937

SCHEMBL811937

CCOC(=O)OC1=C(c2c(C)cc(-c3ccc(Cl)cc3)cc2C)C(=O)SC12CCCCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 4/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
PRKCZ Q05513 1/20 0.33
LMNA P02545 4/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACACB O00763 3/20 0.32
ACACA Q13085 3/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
TSHR P16473 1/20 0.32
ALPL P05186 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
SCHEMBL812270 0.86 NPC1 (0.32) KMT2ALMNAALDH1A1NPC1RAB9A
SCHEMBL811965 0.81 LMNA (0.37) MEN1KMT2AMAPTTRPM8PRKCZ
SCHEMBL812209 0.80 ACACB (0.39) KMT2AALDH1A1ACACBACACA
SCHEMBL812048 0.77 LMNA (0.38) MEN1KMT2AMAPTTRPM8PRKCZ
SCHEMBL811909 0.74 ACACB (0.38) MEN1KMT2AMAPTTRPM8LMNA
SCHEMBL2759798 0.73 ACACB (0.42) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL769079 0.73 MEN1 (0.32) MEN1KMT2AMAPTHTT
SCHEMBL13359405 0.71 LMNA (0.36) MEN1KMT2AMAPTTRPM8PRKCZ
SCHEMBL811968 0.71 LMNA (0.47) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL19139445 0.70 ALDH1A1 (0.31) MEN1KMT2AMAPTLMNAALDH1A1

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 9 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-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 MEN1 4843/4885KMT2A 660/4885MAPT 4775/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 MEN1 4843/4885KMT2A 660/4885MAPT 4775/4885

“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.