SCHEMBL6838460

SCHEMBL6838460

CCOC(=O)C1(NC(=O)Cc2c(C)cc(C)cc2Cl)CCC(CC)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
P2RX7 Q99572 6/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
EPHX2 P34913 1/20 0.32
OPRM1 P35372 1/20 0.31
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7872058 0.92 P2RX7 (0.40) GAASMN1; SMN2P2RX7EPHX2
SCHEMBL7673905 0.88 GAA (0.33) GAASMN1; SMN2ALDH1A1PSEN1PSEN2
SCHEMBL8907784 0.85 P2RX7 (0.34) GAAMAPTP2RX7FFAR4EPHX2
SCHEMBL5929427 0.84 P2RX7 (0.39) POLBGAASMN1; SMN2P2RX7PSEN1
SCHEMBL8654342 0.83 P2RX7 (0.36) GAASMN1; SMN2P2RX7PSEN1PSEN2
SCHEMBL5492364 0.83 OPRM1 (0.34) POLBTSHRGAASMN1; SMN2ALDH1A1
SCHEMBL7964600 0.80 LPAR1 (0.33) HPGDP2RX7FFAR4
SCHEMBL8907152 0.80 P2RX7 (0.36) POLBGAAMAPTP2RX7FFAR4
SCHEMBL7132879 0.79 MAPK1 (0.37) POLBTSHRGAASMN1; SMN2HPGD
SCHEMBL8907272 0.79 ADCY8 (0.40) ALDH1A1MAPTP2RX7L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759548-B2 PESTICIDES AND HERBICIDES. PHENYL-SUBSTITUTED CYCLIC KETOENOLS, A PLURALITY OF PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION BAYER AKTIENGESELLSCHAFT (DE) 2004-07-06 US disclosed
US-20030144504-A1 Pesticides and herbicides. phenyl-substituted cyclic ketoenols, a plurality of processes and intermediates for their preparation FISCHER REINER (DE) 2003-07-31 US disclosed
US-6469196-B2 PESTICIDES AND WEEDKILLERS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-22 US disclosed
US-20020022575-A1 Dialkyl-halogenophenyl-substituted ketoenols FISCHER REINER (DE) 2002-02-21 US disclosed
US-6251830-B1 PESTICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-26 US disclosed
US-5994274-A Dialkyl phenyl halide-substituted keto-enols for use as herbicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1999-11-30 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-20030144504-A1 Pesticides and herbicides. phenyl-substituted cyclic ketoenols, a plurality of processes and intermediates for their preparation DDT, CYP8B1, CYP1A1 POLB 2504/4885TSHR 1710/4885GAA 782/4885
US-20020022575-A1 Dialkyl-halogenophenyl-substituted ketoenols DDT, CYP2E1, CYP8B1 POLB 2671/4885TSHR 1183/4885GAA 785/4885

“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.