SCHEMBL6441336

SCHEMBL6441336

COC(=O)Oc1cccc(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.58
KMT2A Q03164 1/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MITF O75030 1/20 0.53
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
NR4A2 P43354 1/20 0.50
KMO O15229 1/20 0.49
NR1H4 Q96RI1 2/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
PARP1 P09874 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
SCHEMBL14571997 0.86 PRSS1 (0.56) KMT2ANPC1RAB9ACES2CES1
SCHEMBL26802232 0.86 NPC1 (0.56) KMT2ANPC1RAB9ACES2CES1
SCHEMBL13890069 0.83 KMT2A (0.60) KMT2AESR1ESR2
Isophthalic Acid SCHEMBL27866970 0.83 CA12 (0.54) AKR1C3KMT2ANPC1RAB9AMITF
SCHEMBL10431036 0.82 AKR1C3 (0.58) AKR1C3KMT2ANPC1RAB9ANR4A2
SCHEMBL592781 0.81 RXRA (0.68) AKR1C3KMT2ANPC1RAB9ANR4A2
SCHEMBL258461 0.81 LMNA (0.68) AKR1C3KMT2ANPC1RAB9ANR4A2
SCHEMBL29492631 0.81 LMNA (0.68) AKR1C3KMT2ANPC1RAB9ANR4A2
SCHEMBL30184304 0.81 RXRA (0.68) AKR1C3KMT2ANPC1RAB9ANR4A2
SCHEMBL26804081 0.81 TAS1R3 (0.47) KMT2ANPC1RAB9ACES2CES1

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 AKR1C3 445/4885KMT2A 513/4885NPC1 3828/4885

“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.