SCHEMBL6833259

SCHEMBL6833259

O=C(OCc1ccccc1)c1ccc(F)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.67
ALDH1A1 P00352 2/20 0.55
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
STAT1 P42224 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.49
SERPINE1 P05121 1/20 0.49
DHODH Q02127 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
MAOB P27338 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EGFR P00533 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
SCHEMBL21007975 0.88 TDP1 (0.67) TDP1ALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL522838 0.86 ALDH1A1 (0.57) TDP1ALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL4758455 0.86 TDP1 (0.73) TDP1ALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL15341181 0.84 TDP1 (0.74) TDP1ALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL21755163 0.84 ALDH1A1 (0.54) TDP1ALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL23758993 0.82 ALDH1A1 (0.53) TDP1ALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL6133440 0.82 FFAR4 (0.58) TDP1ALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL31371501 0.82 FFAR4 (0.58) TDP1ALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL4200621 0.82 MAOB (0.71) TDP1ALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL6834883 0.82 TDP1 (0.67) TDP1ALDH1A1SLC6A2SLC6A3KMT2A

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-20030055279-A1 Process for the preparation of benzyl carboxylates BAYER AKTIENGESELLSCHAFT (DE) 2003-03-20 US disclosed
US-20030053964-A1 Process for the preparation of hydroxybenzoic benzyl esters 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 4705/4885ALDH1A1 645/4885SLC6A2 4246/4885
US-20030233008-A1 Process for the preparation of carboxylic benzyl esters CPS1, BCAT2, BCAT1 TDP1 4251/4885ALDH1A1 1490/4885SLC6A2 3667/4885
US-20030055279-A1 Process for the preparation of benzyl carboxylates GABRG2, CA4, NBAS TDP1 4546/4885ALDH1A1 509/4885SLC6A2 4245/4885
US-20030053964-A1 Process for the preparation of hydroxybenzoic benzyl esters HAAO, HPD, HACL2 TDP1 3956/4885ALDH1A1 405/4885SLC6A2 1706/4885
US-20020128523-A1 Process for the preparation of hydroxybenzoic benzyl esters HAAO, HPD, ALKBH3 TDP1 3355/4885ALDH1A1 303/4885SLC6A2 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.