SCHEMBL6068448

SCHEMBL6068448

Cc1cccc(C)c1C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.59
KMT2A Q03164 2/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A3 Q01959 1/20 0.59
ALDH1A1 P00352 6/20 0.56
RAB9A P51151 6/20 0.55
NPC1 O15118 3/20 0.55
LMNA P02545 1/20 0.54
MAPK1 P28482 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
MMP12 P39900 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 1/20 0.51
MMP1 P03956 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
STAT1 P42224 1/20 0.49

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
SCHEMBL25633566 0.89 RAB9A (0.52) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL6068292 0.88 TDP1 (0.50) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL7538283 0.86 LMNA (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL3092219 0.86 TDP1 (0.49) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL10786567 0.85 ALDH1A1 (0.64) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL23177362 0.85 TDP1 (0.47) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL25564475 0.85 TDP1 (0.47) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL21396290 0.85 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL25541338 0.85 TDP1 (0.55) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL17965761 0.84 TDP1 (0.61) TDP1KMT2ASLC6A2SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113015717-B Carboxylic acid ester compound, process for producing the same, and perfume composition 三菱瓦斯化学株式会社 2024-04-30 CN disclosed
US-6989462-B2 Synthesis of 2-chloromethyl-6-methylbenzoic ester SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-01-24 US disclosed
US-20040192956-A1 Synthesis of 2-chloromethyl-6-methylbenzoic ester AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-30 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 (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-20040192956-A1 Synthesis of 2-chloromethyl-6-methylbenzoic ester PPARA, PPARG, PPARD TDP1 3645/4885KMT2A 632/4885SLC6A2 4785/4885

“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.