SCHEMBL2834698

SCHEMBL2834698

C=CCOC(=O)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.58
CYP3A4 P08684 1/20 0.55
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
CASP3 P42574 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ATM Q13315 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43

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
SCHEMBL2582130 0.95 SNCA (0.54) SNCACYP3A4KMT2AMEN1MAPT
SCHEMBL5675836 0.91 SNCA (0.59) SNCACYP3A4KMT2AMEN1ALDH1A1
SCHEMBL175786 0.90 SNCA (0.67) SNCACYP3A4KMT2AMEN1ALDH1A1
SCHEMBL461801 0.85 SNCA (0.61) SNCACYP3A4KMT2AMEN1ALDH1A1
SCHEMBL17386391 0.85 SNCA (0.61) SNCACYP3A4KMT2AMEN1ALDH1A1
SCHEMBL175787 0.83 SNCA (0.59) SNCACYP3A4KMT2AMEN1MAPT
SCHEMBL31182 0.83 SNCA (0.59) SNCACYP3A4KMT2AMEN1MAPT
SCHEMBL2833613 0.82 KMT2A (0.45) SNCACYP3A4KMT2AMEN1MAPT
SCHEMBL3026422 0.81 KMT2A (0.51) CYP3A4KMT2AMEN1MAPTCASP3
SCHEMBL1882104 0.81 SNCA (0.58) SNCACYP3A4KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024149093-A1 GLUCOCORTICOID RECEPTOR AGONIST AND CONJUGATE THEREOF 四川科伦博泰生物医药股份有限公司 2024-07-18 WO disclosed
US-8263268-B2 Ester compound, and non-aqueous electrolyte solution and lithium secondary battery each using the ester compound UBE INDUSTRIES, LTD. (JP) 2012-09-11 US disclosed
US-20100119955-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND UBE INDUSTRIES, LTD. (JP) 2010-05-13 US disclosed
WO-2003095417-A1 PROCESS FOR THE MANUFACTURE OF 4-FLUORO-ANTHRANILIC ACID MITENI S.P.A. (IT) 2003-11-20 WO disclosed
US-5446190-A Process for the preparation of alkyl fluorobenzoates in high purity and high yield HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-29 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-20100119955-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND CEL, LAGE3, PEF1 SNCA 3391/4885CYP3A4 2090/4885KMT2A 1023/4885

“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.