SCHEMBL18735948

SCHEMBL18735948

Brc1ccc2ccc3c(c2c1)-c1c(ccc2ccc(Br)cc12)OCO3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MC4R P32245 1/20 0.42
PPARG P37231 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
MAOB P27338 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
BLM P54132 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
AHR P35869 4/20 0.39
ALOX5 P09917 4/20 0.38
CASP3 P42574 1/20 0.36

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
SCHEMBL29587448 1.00 MEN1 (0.42) MEN1KMT2AKDM4EPOLBGAA
SCHEMBL3561759 0.87 SIRT2 (0.40) MEN1KMT2AKDM4EPOLBGAA
SCHEMBL14870330 0.83 CYP2A6 (0.44) MEN1KMT2AKDM4EPOLBRXFP1
SCHEMBL23252382 0.77 ESR2 (0.35) MEN1KMT2AKDM4EPOLBGAA
SCHEMBL3568497 0.76 MAPT (0.52) MEN1KMT2AGAAMAOBLMNA
SCHEMBL154708 0.74 LMNA (0.65) MEN1KMT2AMAOBLMNAMAPT
SCHEMBL29459415 0.74 LMNA (0.65) MEN1KMT2AMAOBLMNAMAPT
SCHEMBL18703963 0.74 MEN1 (0.36) MEN1KMT2AKDM4EPOLBLMNA
SCHEMBL18032999 0.74 AHR (0.36) LMNAMAPTHTTBLMAHR
SCHEMBL8231432 0.74 GPR84 (0.52) KDM4EGAALMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10982149-B2 Chiral compounds MERCK PATENT GMBH (DE) 2021-04-20 US disclosed
EP-3359625-B1 CHIRAL COMPOUNDS MERCK PATENT GMBH (DE) 2019-10-23 EP disclosed
EP-3359625-B1 CHIRAL COMPOUNDS MERCK PATENT GMBH (DE) 2019-10-23 EP disclosed
US-20180291271-A1 CHIRAL COMPOUNDS MERCK PATENT GMBH (DE) 2018-10-11 US disclosed
WO-2017059942-A1 CHIRAL COMPOUNDS MERCK PATENT GMBH (DE) 2017-04-13 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 (1 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-10982149-B2 Chiral compounds FANCI, COL1A1, LCP1 MEN1 76/4885KMT2A 3281/4885KDM4E 3837/4885

“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.