SCHEMBL534318

SCHEMBL534318

Clc1cc(Cl)cc(-c2cc[c]cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
TSHR P16473 1/20 0.42
CHKA P35790 2/20 0.39
AHR P35869 2/20 0.37
CD274 Q9NZQ7 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
MAP4K4 O95819 1/20 0.32
KDM1A O60341 1/20 0.32
PGR P06401 1/20 0.32
CNR1 P21554 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL534111 0.84 MAP4K4 (0.41) RXRARXRBCHKAAHRMAP4K4
SCHEMBL1958364 0.80 RXRA (0.61) RXRARXRBTSHRCHKAAHR
SCHEMBL28509619 0.80 ABL1 (0.44) RXRAAHRTP53CYP3A4KDM1A
Water SCHEMBL11490326 0.80 TSHR (0.67) RXRARXRBTSHRCHKAAHR
SCHEMBL533190 0.78 TAAR1 (0.53) TSHRTP53PGR
SCHEMBL436328 0.78 CYP1A2 (0.52) TSHRAHRTP53CYP1A2
SCHEMBL10395357 0.77 AHR (0.48) TSHRAHRTP53CYP3A4
SCHEMBL196583 0.76 ALDH1A1 (0.33)
SCHEMBL463754 0.76 TSHR (0.73) RXRARXRBTSHRCHKAAHR
SCHEMBL4246853 0.75 AHR (0.62) RXRARXRBTSHRCHKAAHR

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 154 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
WO-2017078927-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-05-11 WO claimed
EP-3116851-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING Salk Institute for Biological Studies (US) 2017-01-18 EP claimed
WO-2015138969-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2015-09-17 WO claimed
CN-102459167-B Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2015-04-01 CN claimed
US-8853207-B2 Heterocyclic pyrazole compounds, method for preparing the same and use thereof DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-10-07 US claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
US-8691805-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-04-08 US claimed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP claimed
US-20130274255-A1 HETEROCYCLIC PYRAZOLE COMPOUNDS, METHOD FOR PREPARING THE SAME AND USE THEREOF DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2013-10-17 US claimed
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP claimed
US-20060079566-A1 PDK-1/Akt signaling inhibitors THE NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-04-13 US claimed
US-7026346-B2 Compounds and methods for inducing apoptosis in proliferating cells THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-04-11 US claimed
EP-1499597-A4 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS UNIV OHIO STATE RES FOUND (US) 2006-01-25 EP claimed
WO-2005044130-A9 PDK-1/AKT SIGNALING INHIBITORS UNIV OHIO STATE RES FOUND (US) 2005-09-15 WO claimed
WO-2005044130-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-05-19 WO claimed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO claimed
EP-1499597-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-01-26 EP claimed
US-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells NIH - DEITR 2003-12-25 US claimed
WO-2003086287-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2003-10-23 WO claimed

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-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP RXRA 1109/4885RXRB 936/4885TSHR 3854/4885
US-20060079566-A1 PDK-1/Akt signaling inhibitors PDPK1, PDXK, PDK3 RXRA 2777/4885RXRB 2931/4885TSHR 1666/4885
US-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells MCL1, BRDT, BAD RXRA 983/4885RXRB 854/4885TSHR 3239/4885
US-20130274255-A1 HETEROCYCLIC PYRAZOLE COMPOUNDS, METHOD FOR PREPARING THE SAME AND USE THEREOF RET, FLT3, FGFR1 RXRA 769/4885RXRB 829/4885TSHR 134/4885

“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.