SCHEMBL2838178

SCHEMBL2838178

Cc1ccc(OC(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
KMT2A Q03164 6/20 0.51
MAPT P10636 5/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PTK2B Q14289 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MEN1 O00255 2/20 0.43
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL24805481 0.91 KMT2A (0.54) ALDH1A1KMT2AMAPTLMNATP53
SCHEMBL2833549 0.85 KMT2A (0.54) ALDH1A1KMT2AMAPTCYP1A2RAB9A
SCHEMBL2835375 0.84 KMT2A (0.51) ALDH1A1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL2834432 0.83 KMT2A (0.56) ALDH1A1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL342679 0.82 LMNA (0.64) ALDH1A1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL532804 0.81 LMNA (0.53) ALDH1A1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL2831396 0.81 KMT2A (0.69) ALDH1A1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL2832840 0.79 LMNA (0.47) ALDH1A1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL8758692 0.79 KMT2A (0.47) ALDH1A1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL7816265 0.79 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTLMNANPC1

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
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 (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 ALDH1A1 2511/4885KMT2A 1023/4885MAPT 3532/4885

“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.