SCHEMBL17249495

SCHEMBL17249495

Bc1ccc(C(=O)Cl)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
ALOX15 P16050 1/20 0.52
CES2 O00748 6/20 0.42
CES1 P23141 6/20 0.42
DGAT1 O75907 1/20 0.37
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CPS1 P31327 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL256756 0.81 CES2 (0.43) ALDH1A1ALOX15CES2CES1DGAT1
Water SCHEMBL27665336 0.79 CES2 (0.42) ALDH1A1ALOX15CES2CES1DGAT1
SCHEMBL165619 0.78 CES2 (0.68) ALDH1A1ALOX15CES2CES1NPC1
SCHEMBL4957103 0.77 ALDH1A1 (0.54) ALDH1A1ALOX15CES2CES1DGAT1
SCHEMBL9627405 0.77 ALDH1A1 (0.54) ALDH1A1ALOX15CES2CES1DGAT1
SCHEMBL645757 0.77 ALDH1A1 (0.54) ALDH1A1ALOX15CES2CES1NPC1
SCHEMBL14492919 0.76 MEN1 (0.32) CES2CES1KMT2A
SCHEMBL25667839 0.76 CES2 (0.39) CES2CES1DGAT1
SCHEMBL31612915 0.75 ALDH1A1 (0.52) ALDH1A1ALOX15CES2CES1DGAT1
SCHEMBL16156066 0.75 ALDH1A1 (0.52) ALDH1A1ALOX15CES2CES1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 US disclosed
WO-2019147842-A1 LIQUID CRYSTAL COMPOSITION CONTAINING A FIVE-MEMBERED HETEROCYCLIC RING, REVERSE-MODE POLYMER DISPERSED LIQUID CRYSTAL ELEMENT, AND ASSOCIATED SELECTIVELY DIMMABLE DEVICE NITTO DENKO CORPORATION (JP) 2019-08-01 WO disclosed
EP-2970106-B1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2018-05-16 EP disclosed
US-9512148-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2016-12-06 US disclosed
US-9512148-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2016-12-06 US disclosed
US-20150322092-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2015-11-12 US disclosed
US-20150322092-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2015-11-12 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-20150322092-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR ALDH1A1 2724/4885ALOX15 4377/4885CES2 3521/4885
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES CD22, BRDT, BCR ALDH1A1 2724/4885ALOX15 4377/4885CES2 3521/4885

“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.