SCHEMBL6417430

SCHEMBL6417430

CC1(C)OC(=O)/C(=C\C(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(Cl)c(Cl)c2)O1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
USP30 Q70CQ3 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 2/20 0.35
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
PDPK1 O15530 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6417431 1.00 POLB (0.38) POLBMAPTTP53USP30ALDH1A1
SCHEMBL6077308 0.87 USP30 (0.47) USP30ALDH1A1PDPK1
SCHEMBL6077313 0.87 USP30 (0.47) USP30ALDH1A1PDPK1
SCHEMBL6077465 0.86 MEN1 (0.37) MAPTTP53USP30ALDH1A1MEN1
SCHEMBL6077470 0.86 MEN1 (0.37) MAPTTP53USP30ALDH1A1MEN1
SCHEMBL6077362 0.85 TRPV1 (0.41) PDPK1
SCHEMBL6077360 0.85 TRPV1 (0.41) PDPK1
SCHEMBL6077836 0.84 TSHR (0.37) POLBMAPTUSP30ALDH1A1MEN1
SCHEMBL6077496 0.84 TSHR (0.37) POLBMAPTUSP30ALDH1A1MEN1
SCHEMBL6078591 0.84 PSEN1 (0.44) MAPTUSP30ALDH1A1LMNAHTT

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-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 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 (3 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 POLB 249/4885MAPT 4035/4885TP53 3496/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 POLB 371/4885MAPT 4262/4885TP53 4549/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 POLB 371/4885MAPT 4262/4885TP53 4549/4885

“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.