SCHEMBL149945

SCHEMBL149945

COc1ccc(CC(=O)O)c(Br)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
GAA P10253 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 4/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 4/20 0.43
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA5A P35218 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL11210250 0.87 CYP3A4 (0.50) HSD17B10CA1CA2MEN1KMT2A
SCHEMBL30969123 0.84 HSD17B10 (0.57) HSD17B10GAANPSR1MEN1KMT2A
SCHEMBL151820 0.84 HSD17B10 (0.57) HSD17B10GAANPSR1MEN1KMT2A
SCHEMBL24541754 0.83 HSD17B10 (0.53) HSD17B10GAANPSR1TDP1MAPT
SCHEMBL29575768 0.83 SMPD1 (0.47) HSD17B10MEN1KMT2AKDM4EHPGD
SCHEMBL28415900 0.83 SMPD1 (0.47) HSD17B10MEN1KMT2AKDM4EHPGD
SCHEMBL9786071 0.81 HSD17B10 (0.54) HSD17B10GAANPSR1MEN1KMT2A
SCHEMBL10618516 0.80 HSD17B10 (0.53) HSD17B10GAANPSR1MEN1KMT2A
SCHEMBL195013 0.80 HSD17B10 (0.53) HSD17B10GAANPSR1MEN1KMT2A
SCHEMBL10622242 0.80 HSD17B10 (0.53) HSD17B10GAANPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4201926-A1 NOVEL INTERMEDIATE, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF Sichuan University (CN) 2023-06-28 EP disclosed
WO-2022127321-A1 NOVEL INTERMEDIATE, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF 四川大学 2022-06-23 WO disclosed
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
WO-2011159926-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-22 WO disclosed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 WO disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 WO disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 WO 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 HSD17B10 2829/4885GAA 2760/4885CA1 4698/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L HSD17B10 3200/4885GAA 1316/4885CA1 3802/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L HSD17B10 3292/4885GAA 1373/4885CA1 4003/4885

“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.