SCHEMBL6879362

SCHEMBL6879362

CON(CCCc1ccc(Cl)c(Cl)c1)C(=O)/C=C1\OC(C)(C)OC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
PDPK1 O15530 1/20 0.35
TSHR P16473 1/20 0.34
FDFT1 P37268 1/20 0.34
IGF1R P08069 1/20 0.33
ALOX15 P16050 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
LIPG Q9Y5X9 3/20 0.32
LIPC P11150 2/20 0.32
HIF1A Q16665 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
PYGL P06737 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 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
SCHEMBL6078367 1.00 CDK8 (0.36) CDK8CLK4PDPK1TSHRFDFT1
SCHEMBL6077836 0.88 TSHR (0.37) PDPK1TSHRHIF1AMAPTMEN1
SCHEMBL6077496 0.88 TSHR (0.37) PDPK1TSHRHIF1AMAPTMEN1
SCHEMBL6076726 0.87 CDK8 (0.38) CDK8CLK4PDPK1TSHRIGF1R
SCHEMBL6448437 0.85 ALDH1A1 (0.35) TSHRCHRM5CHRM1CHRM3ALDH1A1
SCHEMBL6077698 0.85 ALDH1A1 (0.35) TSHRCHRM5CHRM1CHRM3ALDH1A1
SCHEMBL6077362 0.82 TRPV1 (0.41) PDPK1LIPGTRPV1SIGMAR1
SCHEMBL6077360 0.82 TRPV1 (0.41) PDPK1LIPGTRPV1SIGMAR1
SCHEMBL6417430 0.79 POLB (0.38) PDPK1MAPTMEN1ALDH1A1TP53
SCHEMBL6417431 0.79 POLB (0.38) PDPK1MAPTMEN1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 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 (1 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-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 CDK8 40/4885CLK4 2831/4885PDPK1 1267/4885

“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.