SCHEMBL6832244

SCHEMBL6832244

O=C(OCc1ccccc1)c1c(O)cccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.59
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.53
ALDH1A1 P00352 4/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
TXNRD1 Q16881 1/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
ALOX5 P09917 2/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP12 P39900 2/20 0.47
MMP1 P03956 1/20 0.47

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
SCHEMBL3919215 0.90 TDP1 (0.71) TDP1SLC6A2SLC6A3KMT2ALMNA
SCHEMBL9683658 0.83 TDP1 (0.51) TDP1SLC6A2SLC6A3KMT2ALMNA
SCHEMBL7281680 0.83 TDP1 (0.54) TDP1SLC6A2SLC6A3KMT2ALMNA
SCHEMBL24874101 0.83 TDP1 (0.51) TDP1SLC6A2SLC6A3KMT2ALMNA
SCHEMBL23703782 0.83 TDP1 (0.76) TDP1SLC6A2SLC6A3KMT2ALMNA
SCHEMBL27960522 0.82 TDP1 (0.47) TDP1SLC6A2SLC6A3KMT2ALMNA
SCHEMBL9220578 0.82 LMNA (0.51) TDP1LMNATXNRD1MMP2MMP12
SCHEMBL6832765 0.81 TDP1 (0.59) TDP1SLC6A2SLC6A3KMT2ALMNA
SCHEMBL7287732 0.81 TDP1 (0.56) TDP1SLC6A2SLC6A3KMT2ALMNA
SCHEMBL20830632 0.81 KMT2A (0.52) TDP1SLC6A2SLC6A3KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3456713-A1 PROCESS FOR THE PREPARATION OF TRIAZINE DERIVATIVES Japan Tobacco Inc. (JP) 2019-03-20 EP disclosed
US-20040127737-A1 Process for the preparation of carboxylic acid benzyl esters BAYER AKTIENGESELLSCHAFT (DE) 2004-07-01 US disclosed
US-20030233008-A1 Process for the preparation of carboxylic benzyl esters BAYER AKTIENGESELLSCHAFT (DE) 2003-12-18 US disclosed
US-6639093-B2 Reacting benzyl chloride with hydroxybenzoic acid BAYER AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
US-6600064-B2 Reacting dibenzyl ethers with alkylcarbonyloxybenzoic or alkoxycarbonyloxybenzoic acids in the presence of one or more acids as catalyst BAYER AKTIENGESELLSCHAFT (DE) 2003-07-29 US disclosed
US-20030053964-A1 Process for the preparation of hydroxybenzoic benzyl esters BAYER AKTIENGESELLSCHAFT (DE) 2003-03-20 US disclosed
US-20030055279-A1 Process for the preparation of benzyl carboxylates BAYER AKTIENGESELLSCHAFT (DE) 2003-03-20 US disclosed
US-20020128523-A1 Process for the preparation of hydroxybenzoic benzyl esters LANXESS DEUTSCHLAND GMBH (DE) 2002-09-12 US disclosed
US-5149357-A Herbicidal substituted benzoylsulfonamides FMC CORPORATION (US) 1992-09-22 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 (5 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-20040127737-A1 Process for the preparation of carboxylic acid benzyl esters CA4, CA7, CA9 TDP1 4705/4885SLC6A2 4246/4885SLC6A3 3681/4885
US-20030233008-A1 Process for the preparation of carboxylic benzyl esters CPS1, BCAT2, BCAT1 TDP1 4251/4885SLC6A2 3667/4885SLC6A3 2820/4885
US-20030055279-A1 Process for the preparation of benzyl carboxylates GABRG2, CA4, NBAS TDP1 4546/4885SLC6A2 4245/4885SLC6A3 3432/4885
US-20030053964-A1 Process for the preparation of hydroxybenzoic benzyl esters HAAO, HPD, HACL2 TDP1 3956/4885SLC6A2 1706/4885SLC6A3 1223/4885
US-20020128523-A1 Process for the preparation of hydroxybenzoic benzyl esters HAAO, HPD, ALKBH3 TDP1 3355/4885SLC6A2 3024/4885SLC6A3 2819/4885

“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.