SCHEMBL6445568

SCHEMBL6445568

COc1cc(F)c(C(=O)O)c(OC(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
TSHR P16473 3/20 0.44
BACE1 P56817 1/20 0.44
MAPK1 P28482 4/20 0.42
USP2 O75604 2/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.42
TNFSF11 O14788 1/20 0.41
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
LMNA P02545 2/20 0.39
CFD P00746 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL18170324 0.86 MAPK1 (0.51) KDM4EMAPK1USP2CYP3A4SMN1; SMN2
SCHEMBL1646977 0.82 POLB (0.45) KDM4ETSHRMAPK1KMT2AALDH1A1
SCHEMBL28919121 0.82 KMT2A (0.55) KDM4ETSHRBACE1MAPK1USP2
SCHEMBL31403415 0.79 CYP4F2 (0.47) KDM4ETSHRBACE1MAPK1CYP3A4
SCHEMBL23389812 0.76 KMT2A (0.55) KDM4ETSHRMAPK1CYP3A4KMT2A
SCHEMBL7195213 0.76 POLB (0.55) KDM4EMAPK1USP2CYP3A4SMN1; SMN2
SCHEMBL8481431 0.75 ALDH1A1 (0.56) KDM4ETSHRMAPK1CYP3A4KMT2A
SCHEMBL2382494 0.75 CYP3A4 (0.53) KDM4EMAPK1USP2CYP3A4SMN1; SMN2
SCHEMBL21995828 0.75 TAAR1 (0.42) KDM4ETSHRMAPK1SMN1; SMN2KMT2A
SCHEMBL28453775 0.75 GPR35 (0.41) KDM4ETSHRMAPK1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1238961-B1 Process for the preparation of benzyl esters of hydroxybenzoic acids BAYER CHEMICALS AG (DE) 2005-01-26 EP 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-20020128523-A1 Process for the preparation of hydroxybenzoic benzyl esters LANXESS DEUTSCHLAND GMBH (DE) 2002-09-12 US disclosed
EP-1238961-A1 Process for the preparation of benzyl esters of hydroxybenzoic acids Bayer Aktiengesellschaft (DE) 2002-09-11 EP 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 (1 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-20020128523-A1 Process for the preparation of hydroxybenzoic benzyl esters HAAO, HPD, ALKBH3 KDM4E 202/4885TSHR 4424/4885BACE1 3734/4885

“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.