SCHEMBL566426

SCHEMBL566426

CCCCOc1ccc(C(=O)O)cc1Cl

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.62
THRB P10828 1/20 0.62
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
PTPN11 Q06124 1/20 0.57
PLA2G4B P0C869 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MRGPRX4 Q96LA9 1/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
MCL1 Q07820 1/20 0.54
ATM Q13315 1/20 0.54
NPC1 O15118 1/20 0.54
NFKB1 P19838 1/20 0.54

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
SCHEMBL566466 0.97 THRA (0.66) THRATHRBALDH1A1HPGDTP53
SCHEMBL9626608 0.95 THRA (0.68) THRATHRBALDH1A1HPGDTP53
SCHEMBL9626804 0.95 THRA (0.68) THRATHRBALDH1A1HPGDTP53
SCHEMBL5348150 0.95 THRA (0.68) THRATHRBALDH1A1HPGDTP53
SCHEMBL11315317 0.95 THRA (0.68) THRATHRBALDH1A1HPGDTP53
SCHEMBL18682278 0.95 THRA (0.68) THRATHRBALDH1A1HPGDTP53
SCHEMBL9306386 0.95 THRA (0.68) THRATHRBALDH1A1HPGDTP53
Hydrochloric Acid SCHEMBL9626807 0.94 THRA (0.67) THRATHRBALDH1A1HPGDTP53
Hydrochloric Acid SCHEMBL9626731 0.94 THRA (0.67) THRATHRBALDH1A1HPGDTP53
SCHEMBL177169 0.92 THRA (0.56) THRATHRBALDH1A1HPGDPTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20170096417-A1 Multicyclic Compounds And Methods Of Using Same Karyopharm Therapeutics Inc. (US) 2017-04-06 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
WO-2015042414-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USING SAME Karyopharm Therapeutics Inc. (US) 2015-03-26 WO disclosed
WO-2014063199-A1 ORGANIC COMPOUNDS AKAAL PHARMA PTY LTD (AU) 2014-05-01 WO disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 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 (5 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 THRA 4014/4885THRB 4348/4885ALDH1A1 286/4885
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 THRA 4473/4885THRB 3843/4885ALDH1A1 4654/4885
US-20170096417-A1 Multicyclic Compounds And Methods Of Using Same PAK4, PAK5, PAK1 THRA 4457/4885THRB 4068/4885ALDH1A1 2231/4885
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 THRA 2107/4885THRB 1324/4885ALDH1A1 3045/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 THRA 3985/4885THRB 4200/4885ALDH1A1 374/4885

“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.