SCHEMBL4856085

SCHEMBL4856085

CC(=O)c1cc2cccc(Br)c2o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
RECQL P46063 1/20 0.62
CHRNA7 P36544 1/20 0.48
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 3/20 0.45
MAOB P27338 4/20 0.44
MAOA P21397 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
BRCA1 P38398 1/20 0.44
CASP7 P55210 1/20 0.44
STAT3 P40763 3/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL30950193 1.00 LMNA (0.62) LMNARECQLCHRNA7ALDH1A1KMT2A
SCHEMBL2198159 0.84 CHRNA7 (0.49) LMNARECQLCHRNA7ALDH1A1KMT2A
SCHEMBL27185443 0.83 KMT2A (0.60) LMNARECQLCHRNA7ALDH1A1KMT2A
SCHEMBL1896215 0.82 LMNA (0.66) LMNARECQLALDH1A1KMT2AMAOB
SCHEMBL20604721 0.82 LMNA (0.50) LMNARECQLCHRNA7ALDH1A1KMT2A
SCHEMBL930916 0.82 CHRNA7 (0.45) LMNARECQLCHRNA7ALDH1A1KMT2A
SCHEMBL10648590 0.81 LMNA (0.64) LMNARECQLALDH1A1KMT2AMAOB
SCHEMBL1287575 0.79 LMNA (0.62) LMNARECQLALDH1A1KMT2AMAOB
SCHEMBL16795696 0.79 LMNA (0.62) LMNARECQLCHRNA7ALDH1A1KMT2A
SCHEMBL931020 0.79 MAOB (0.51) LMNARECQLCHRNA7ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023066357-A1 FUSED CYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2023-04-27 WO disclosed
EP-3653613-B1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF BEBETTER MED INC (CN) 2022-11-16 EP disclosed
US-11306102-B2 1,3-di-substituted ketene compound and application thereof BEBETTER MED INC. (CN) 2022-04-19 US disclosed
US-20210122761-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF BEBETTER MED INC. (CN) 2021-04-29 US disclosed
EP-3653613-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF Guangzhou Bebetter Medicine Technology Co., Ltd. (CN) 2020-05-20 EP disclosed
WO-2015087094-A1 NEW ARYLALKENYLPROPARGYLAMINE DERIVATIVES EXHIBITING NEUROPROTECTIVE ACTION FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SEMMELWEIS EGYETEM (HU) 2015-06-18 WO disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
EP-1373240-B1 RETINOID X RECEPTOR MODULATORS LILLY CO ELI (US) 2005-06-15 EP disclosed
US-20040167160-A1 Retinoid x receptor modulators LIGAND PHARMACEUTICALS INCORPORATED 2004-08-26 US disclosed
EP-1373240-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-01-02 EP disclosed
WO-2002071827-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2002-09-19 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 (4 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-20040167160-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB LMNA 2800/4885RECQL 577/4885CHRNA7 686/4885
US-20210122761-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF PPARA, FABP1, PPARG LMNA 2054/4885RECQL 4839/4885CHRNA7 1661/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB LMNA 2550/4885RECQL 700/4885CHRNA7 761/4885
US-11306102-B2 1,3-di-substituted ketene compound and application thereof PPARA, FABP1, PPARG LMNA 2054/4885RECQL 4839/4885CHRNA7 1661/4885

“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.