SCHEMBL823017

SCHEMBL823017

CC1=CCC(=O)C(c2c(C)cc(-c3ccc(Cl)cc3)cc2C)=C1OC(=O)CC(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PPARD Q03181 1/20 0.31
ALOX15 P16050 1/20 0.31
CTSA P10619 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
SCHEMBL812286 0.77 LMNA (0.39) KMT2ANPC1LMNAPOLBRAB9A
SCHEMBL811966 0.76 LMNA (0.33) KMT2ANPC1LMNAPOLBRAB9A
SCHEMBL812270 0.72 NPC1 (0.32) KMT2ANPC1LMNAPOLBRAB9A
SCHEMBL3512372 0.63 GAA (0.50) KMT2ANPC1LMNAPOLBRAB9A
SCHEMBL812037 0.63 PGR (0.34) KMT2ALMNAALDH1A1
SCHEMBL822882 0.63 LMNA (0.33) KMT2ALMNASMN1; SMN2ALDH1A1PPARD
SCHEMBL811968 0.62 LMNA (0.47) KMT2ALMNAALDH1A1ALOX15
SCHEMBL14066725 0.62 MAPT (0.32) KMT2ALMNAALDH1A1
SCHEMBL812048 0.62 LMNA (0.38) KMT2ANPC1LMNAPOLBRAB9A
SCHEMBL811947 0.62 RAB9A (0.33) LMNARAB9AALDH1A1

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 4 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-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

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 KMT2A 660/4885NPC1 4115/4885LMNA 2176/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 KMT2A 660/4885NPC1 4115/4885LMNA 2176/4885

“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.