SCHEMBL6832765

SCHEMBL6832765

O=C(OCc1ccccc1)c1c(O)cccc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.59
KMT2A Q03164 2/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
LMNA P02545 1/20 0.53
ALDH1A1 P00352 4/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
TSHR P16473 1/20 0.48
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP12 P39900 2/20 0.47
MMP1 P03956 1/20 0.47
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL20083707 0.90 TDP1 (0.59) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL3919215 0.90 TDP1 (0.71) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL23754658 0.84 ALDH1A1 (0.61) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL6614027 0.83 TDP1 (0.51) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL25633566 0.83 RAB9A (0.52) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL24874101 0.83 TDP1 (0.51) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL23703782 0.83 TDP1 (0.76) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL2892814 0.82 NPC1 (0.55) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL6832244 0.81 TDP1 (0.59) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL9741945 0.80 TDP1 (0.62) TDP1KMT2ASLC6A2SLC6A3LMNA

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-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

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 4705/4885KMT2A 820/4885SLC6A2 4246/4885
US-20030233008-A1 Process for the preparation of carboxylic benzyl esters CPS1, BCAT2, BCAT1 TDP1 4251/4885KMT2A 1295/4885SLC6A2 3667/4885
US-20030055279-A1 Process for the preparation of benzyl carboxylates GABRG2, CA4, NBAS TDP1 4546/4885KMT2A 1281/4885SLC6A2 4245/4885
US-20030053964-A1 Process for the preparation of hydroxybenzoic benzyl esters HAAO, HPD, HACL2 TDP1 3956/4885KMT2A 690/4885SLC6A2 1706/4885
US-20020128523-A1 Process for the preparation of hydroxybenzoic benzyl esters HAAO, HPD, ALKBH3 TDP1 3355/4885KMT2A 513/4885SLC6A2 3024/4885

“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.