SCHEMBL6832235

SCHEMBL6832235

O=C(OCc1ccccc1)c1cc(O)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.59
ALDH1A1 P00352 4/20 0.57
LMNA P02545 1/20 0.57
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
EGFR P00533 1/20 0.51
AKR1B1 P15121 1/20 0.49
CYP3A4 P08684 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL6832741 0.88 TDP1 (0.59) TDP1ALDH1A1LMNASLC6A2SLC6A3
SCHEMBL18782372 0.87 ALDH1A1 (0.64) TDP1ALDH1A1LMNASLC6A2SLC6A3
SCHEMBL29179309 0.85 ALDH1A1 (0.51) TDP1ALDH1A1LMNASLC6A2SLC6A3
SCHEMBL1548979 0.85 ALDH1A1 (0.67) TDP1ALDH1A1LMNASLC6A2SLC6A3
SCHEMBL8130349 0.85 ALDH1A1 (0.54) TDP1ALDH1A1LMNASLC6A2SLC6A3
SCHEMBL1948309 0.85 ALDH1A1 (0.54) TDP1ALDH1A1LMNASLC6A2SLC6A3
SCHEMBL26775676 0.85 DHODH (0.56) TDP1ALDH1A1LMNASLC6A2SLC6A3
SCHEMBL31737536 0.85 ALDH1A1 (0.54) TDP1ALDH1A1LMNASLC6A2SLC6A3
SCHEMBL1655944 0.84 TDP1 (0.73) TDP1ALDH1A1LMNASLC6A2SLC6A3
SCHEMBL521687 0.83 ALDH1A1 (0.69) TDP1ALDH1A1LMNASLC6A2SLC6A3

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 4705/4885ALDH1A1 645/4885LMNA 3018/4885
US-20030233008-A1 Process for the preparation of carboxylic benzyl esters CPS1, BCAT2, BCAT1 TDP1 4251/4885ALDH1A1 1490/4885LMNA 2823/4885
US-20030055279-A1 Process for the preparation of benzyl carboxylates GABRG2, CA4, NBAS TDP1 4546/4885ALDH1A1 509/4885LMNA 2910/4885
US-20030053964-A1 Process for the preparation of hydroxybenzoic benzyl esters HAAO, HPD, HACL2 TDP1 3956/4885ALDH1A1 405/4885LMNA 1868/4885
US-20020128523-A1 Process for the preparation of hydroxybenzoic benzyl esters HAAO, HPD, ALKBH3 TDP1 3355/4885ALDH1A1 303/4885LMNA 1588/4885

“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.