SCHEMBL6077334

SCHEMBL6077334

CON(Cc1ccc(C)cc1)C(=O)C=C1OC(C)(C)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 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
SCHEMBL6879078 1.00 POLB (0.34) POLBTRPM8LMNASMN1; SMN2ALDH1A1
SCHEMBL6879189 0.90 NPSR1 (0.36) TRPM8ALDH1A1L3MBTL1MAPT
SCHEMBL6077512 0.89 ALDH1A1 (0.38) LMNASMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL6078978 0.89 BCL2A1 (0.37) POLBLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL6077491 0.89 ALDH1A1 (0.44) TRPM8SMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL6077514 0.89 ALDH1A1 (0.38) LMNASMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL6877621 0.89 ALDH1A1 (0.44) TRPM8SMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL6078972 0.89 BCL2A1 (0.37) POLBLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL6450808 0.88 TAS2R14 (0.37) ALDH1A1L3MBTL1MAPT
SCHEMBL6077839 0.87 LOXL2 (0.38) POLBLMNASMN1; SMN2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 EP disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 WO disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 US disclosed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 WO 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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF POLB 23/4885TRPM8 4807/4885LMNA 3521/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 POLB 64/4885TRPM8 4119/4885LMNA 2590/4885

“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.