SCHEMBL16066498

SCHEMBL16066498

O=C(Cl)c1ccc(CBr)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
DGAT1 O75907 1/20 0.38
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
PIK3CA P42336 1/20 0.36
SRD5A2 P31213 1/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CXCR3 P49682 1/20 0.35
RARB P10826 2/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
RXRA P19793 2/20 0.34
MEP1B Q16820 2/20 0.33

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
SCHEMBL13622154 0.85 ALDH1A1 (0.47) ALDH1A1ALOX15CYP4F2CYP4A11CES2
SCHEMBL506187 0.85 EPHX2 (0.47) ALDH1A1CYP4F2CYP4A11CES2CES1
SCHEMBL14728203 0.81 ALDH1A1 (0.47) ALDH1A1ALOX15CES2CES1DGAT1
SCHEMBL667823 0.81 ALDH1A1 (0.47) ALDH1A1ALOX15CES2CES1MAOB
SCHEMBL4048132 0.81 MAOB (0.53) CYP4F2CYP4A11CES2CES1DGAT1
Acetic Acid SCHEMBL28404737 0.80 EPHX2 (0.47) CYP4F2CYP4A11CES2CES1MAOB
SCHEMBL1595355 0.79 CYP4F2 (0.49) ALDH1A1CYP4F2CYP4A11CES2CES1
SCHEMBL2838032 0.79 IDO1 (0.39) CYP4F2CYP4A11CES2CES1DGAT1
SCHEMBL7735953 0.79 RARB (0.46) ALDH1A1ALOX15MAOBMAOARARB
SCHEMBL31635558 0.78 CYP4F2 (0.47) ALDH1A1CYP4F2CYP4A11CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970106-B1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2018-05-16 EP disclosed
US-20180079759-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2018-03-22 US 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
US-9127024-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2015-09-08 US disclosed
US-9127024-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2015-09-08 US disclosed
WO-2014144380-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORPORATION (US) 2014-09-18 WO disclosed
US-20140274954-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION 2014-09-18 US disclosed
US-20140274954-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION 2014-09-18 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 (3 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 4377/4885CYP4F2 477/4885
US-20140274954-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR ALDH1A1 2724/4885ALOX15 4377/4885CYP4F2 477/4885
US-20180079759-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR ALDH1A1 2724/4885ALOX15 4377/4885CYP4F2 477/4885

“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.