SCHEMBL6534556

SCHEMBL6534556

COC(=O)c1cccc(C)c1CCl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
NR4A2 P43354 1/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 2/20 0.44
CFTR P13569 1/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 5/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 3/20 0.43
ATM Q13315 1/20 0.43
MYC P01106 1/20 0.42
GLA P06280 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL315804 0.89 LMNA (0.52) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL7870569 0.84 ALDH1A1 (0.48) ALDH1A1L3MBTL1HTTNR4A2LMNA
SCHEMBL6046682 0.83 ALDH1A1 (0.49) ALDH1A1HTTLMNATSHRHSD17B10
Ammonia Solution, Strong SCHEMBL28090259 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTNR4A2LMNA
SCHEMBL3540201 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTNR4A2LMNA
SCHEMBL3184374 0.83 ALDH1A1 (0.50) ALDH1A1L3MBTL1HTTNR4A2LMNA
SCHEMBL12174317 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTNR4A2LMNA
SCHEMBL4739763 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTNR4A2LMNA
SCHEMBL25362705 0.81 ALDH1A1 (0.61) ALDH1A1L3MBTL1HTTLMNATSHR
SCHEMBL5988902 0.80 ALDH1A1 (0.55) ALDH1A1HTTLMNATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 355/4885L3MBTL1 2800/4885HTT 4094/4885

“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.