SCHEMBL9733862

SCHEMBL9733862

COCCOc1c(Br)ccc(C(=O)O)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.37
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.35
PTGER4 P35408 1/20 0.35
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL16035002 0.87 HDAC3 (0.38) HSD17B10TSHRKDM4EUSP2ALDH1A1
SCHEMBL8526820 0.84 KMT2A (0.44) HSD17B10TSHRKDM4EUSP2ALDH1A1
SCHEMBL8529751 0.83 HSD17B10 (0.50) HSD17B10TSHRKDM4EALDH1A1CYP1A2
SCHEMBL3547734 0.82 KDM4E (0.38) HSD17B10TSHRKDM4EUSP2ALDH1A1
SCHEMBL16035409 0.81 KMT2A (0.36) TSHRKDM4EUSP2ALDH1A1TDP1
SCHEMBL19512251 0.81 KDM4E (0.40) HSD17B10TSHRKDM4EUSP2ALDH1A1
SCHEMBL979782 0.80 HSD17B10 (0.51) HSD17B10TSHRKDM4EUSP2ALDH1A1
SCHEMBL8489381 0.80 HSD17B10 (0.34) HSD17B10TSHRKDM4EUSP2ALDH1A1
SCHEMBL24886348 0.79 HPGD (0.41) HSD17B10TSHRKDM4EALDH1A1MAPK1
SCHEMBL646150 0.78 PTGER4 (0.35) TSHRALDH1A1MAPK1PTGER4PRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851119-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2020-12-01 US disclosed
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 US disclosed
US-10464951-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2019-11-05 US disclosed
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-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-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-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
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
US-20140274954-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION 2014-09-18 US disclosed
US-5092919-A Pre- and postemergence herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-03 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 (6 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-10464951-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR HSD17B10 701/4885TSHR 236/4885KDM4E 1805/4885
US-20150322092-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR HSD17B10 701/4885TSHR 236/4885KDM4E 1805/4885
US-10851119-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR HSD17B10 701/4885TSHR 236/4885KDM4E 1805/4885
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES CD22, BRDT, BCR HSD17B10 701/4885TSHR 236/4885KDM4E 1805/4885
US-20140274954-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR HSD17B10 701/4885TSHR 236/4885KDM4E 1805/4885
US-20180079759-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR HSD17B10 701/4885TSHR 236/4885KDM4E 1805/4885

“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.