SCHEMBL2831997

SCHEMBL2831997

Cc1ccccc1OC(=O)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
POLB P06746 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MEN1 O00255 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
ATM Q13315 1/20 0.45
PRSS1 P07477 1/20 0.45
ACR P10323 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL28678134 0.93 POLB (0.57) KMT2APOLBMAPTSMN1; SMN2TDP1
SCHEMBL13554415 0.87 ESR1 (0.59) KMT2APOLBMAPTSMN1; SMN2TDP1
SCHEMBL1284160 0.87 KMT2A (0.63) KMT2APOLBMAPTSMN1; SMN2TDP1
SCHEMBL2833901 0.86 POLB (0.69) KMT2APOLBNPC1RAB9AMAPT
SCHEMBL28678136 0.86 RXRA (0.64) KMT2APOLBMAPTSMN1; SMN2TDP1
SCHEMBL1129956 0.86 RXRA (0.51) KMT2APOLBRAB9AMAPTSMN1; SMN2
SCHEMBL11584715 0.84 MAPT (0.58) KMT2APOLBMAPTSMN1; SMN2TDP1
SCHEMBL8387767 0.84 KMT2A (0.59) KMT2APOLBNPC1RAB9AMAPT
SCHEMBL2835178 0.83 KMT2A (0.60) KMT2APOLBNPC1RAB9AMAPT
Trimethylammonium SCHEMBL6221456 0.82 KMT2A (0.58) KMT2APOLBMAPTSMN1; SMN2TDP1

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
US-20230242705-A1 ESTER COMPOUND AND RESIN COMPOSITION AJINOMOTO CO., INC. (JP) 2023-08-03 US 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
EP-2108640-B1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND UBE INDUSTRIES (JP) 2012-07-25 EP 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
EP-2108640-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND Ube Industries, Ltd. (JP) 2009-10-14 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 (2 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 KMT2A 1023/4885POLB 398/4885NPC1 962/4885
US-20230242705-A1 ESTER COMPOUND AND RESIN COMPOSITION AFF4, AFF1, AFF2 KMT2A 322/4885POLB 2094/4885NPC1 1355/4885

“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.