SCHEMBL4617044

SCHEMBL4617044

C=CCOc1ccc(C=O)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 6/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
FDPS P14324 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A3 P47895 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH3A1 P30838 1/20 0.40
PTPN1 P18031 1/20 0.39
LMNA P02545 1/20 0.39
LIG1 P18858 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PDE4B Q07343 1/20 0.39

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
SCHEMBL9247407 0.86 HPGD (0.45) TSHRGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL3464451 0.84 FDPS (0.54) TSHRGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL1422917 0.80 ALDH1A1 (0.57) TSHRGAAALDH1A1HPGDRAB9A
SCHEMBL27804316 0.80 FDPS (0.42) TSHRGAAALDH1A1HPGDMAPT
SCHEMBL31247739 0.80 FDPS (0.42) TSHRGAAALDH1A1HPGDMAPT
SCHEMBL18095839 0.80 ALDH1A1 (0.49) TSHRGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL944430 0.80 ALDH1A1 (0.48) TSHRGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL493460 0.79 ALDH1A1 (0.60) TSHRGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL2322279 0.79 HPGD (0.59) TSHRGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL1748511 0.79 ALDH1A1 (0.66) TSHRALDH1A1HPGDSMN1; SMN2HTT

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-2750678-B1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC (US) 2017-03-22 EP disclosed
WO-2016025932-A1 SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-02-18 WO disclosed
US-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. 2015-02-05 US disclosed
CN-104039323-A Antibacterial compounds and methods of use PTC THERAPEUTICS INC 2014-09-10 CN disclosed
EP-2750678-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033228-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed
US-7393367-B2 Agent for dyeing keratin-based fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-07-01 US disclosed
US-7393367-B2 Agent for dyeing keratin-based fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-07-01 US disclosed
US-7393367-B2 Agent for dyeing keratin-based fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-07-01 US disclosed
US-20080104772-A1 AGENT FOR DYEING KERATIN-BASED FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-08 US disclosed
US-20080104772-A1 AGENT FOR DYEING KERATIN-BASED FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-08 US disclosed
US-20080104772-A1 AGENT FOR DYEING KERATIN-BASED FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-08 US disclosed
EP-1879660-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP disclosed
WO-2006119819-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-11-16 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 (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-20080104772-A1 AGENT FOR DYEING KERATIN-BASED FIBERS KRT18, KAT5, H1-5 TSHR 1444/4885GAA 4691/4885ALDH1A1 1093/4885
US-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP TSHR 4837/4885GAA 91/4885ALDH1A1 3792/4885

“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.