SCHEMBL20621908

SCHEMBL20621908

BC(C)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
CYP3A4 P08684 2/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HSD11B1 P28845 8/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
PDE2A O00408 1/20 0.35

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
SCHEMBL31852251 0.79 GABRA1 (0.50) ACHECYP3A4IDO1TDO2CES2
SCHEMBL84442 0.79 GABRA1 (0.50) ACHECYP3A4IDO1TDO2CES2
SCHEMBL15903486 0.79 ACHE (0.43) ACHECYP3A4IDO1TDO2CES2
SCHEMBL27883726 0.77 ACHE (0.42) ACHECYP3A4IDO1TDO2CES2
SCHEMBL2404367 0.76 HSD11B1 (0.44) ACHECYP3A4IDO1TDO2CES2
SCHEMBL23139487 0.75 PDE2A (0.48) ACHECYP3A4IDO1TDO2CES2
SCHEMBL20809861 0.75 ACHE (0.40) ACHECYP3A4IDO1TDO2CES2
SCHEMBL21216509 0.75 ACHE (0.40) ACHECYP3A4IDO1TDO2CES2
SCHEMBL24988976 0.75 ACHE (0.40) ACHECYP3A4IDO1TDO2CES2
SCHEMBL21670120 0.75 ACHE (0.40) ACHECYP3A4IDO1TDO2CES2

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
US-10559851-B2 Magnesium battery electrolyte TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2020-02-11 US disclosed
US-10428015-B2 Acid-resistant base and/or radical generator, and curable resin composition containing said base and/or radical generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-01 US disclosed
US-20190002403-A1 ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-01-03 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 (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-10428015-B2 Acid-resistant base and/or radical generator, and curable resin composition containing said base and/or radical generator REV1, RER1, CBR1 ACHE 3826/4885CYP3A4 3181/4885IDO1 4433/4885
US-20190002403-A1 ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR REV1, RER1, CBR1 ACHE 3826/4885CYP3A4 3181/4885IDO1 4433/4885

“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.