SCHEMBL843489

SCHEMBL843489

Cc1c(C(=O)O)ccc(-c2ccc(C(=O)O)c(C)c2C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
TSHR P16473 1/20 0.42
HAAO P46952 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
ALDH1A1 P00352 4/20 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
SCHEMBL31389208 0.89 CYP1A2 (0.58) CYP1A2TSHRHAAOGABRPGABRD
SCHEMBL128319 0.89 CYP1A2 (0.58) CYP1A2TSHRHAAOGABRPGABRD
SCHEMBL28830921 0.88 MYC (0.55) TSHRALDH1A1ALOX15MYCKDM4E
Ammonia Solution, Strong SCHEMBL29137499 0.87 CYP1A2 (0.55) CYP1A2TSHRHAAOGABRPGABRD
Hydrochloric Acid SCHEMBL29281801 0.86 MYC (0.53) TSHRALDH1A1ALOX15MYCKDM4E
SCHEMBL6974190 0.85 ALDH1A1 (0.49) ALDH1A1ALOX15MYCKDM4EMEN1
Cyclohexane SCHEMBL253627 0.82 CYP1A2 (0.50) CYP1A2TSHRHAAOGABRPGABRD
SCHEMBL842987 0.82 FOLH1 (0.49) TSHRALDH1A1MYCHSD17B10SMN1; SMN2
SCHEMBL1501399 0.81 CYP1A2 (0.44) CYP1A2HAAOGABRPGABRDGABRA1
SCHEMBL27547124 0.80 KDM4E (0.43) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076734-B1 COMPOSITE MATERIAL COMBINING MOF NANOPARTICLES AND METAL NANOPARTICLES CENTRE NAT RECH SCIENT (FR) 2024-04-03 EP claimed
EP-4076734-A1 COMPOSITE MATERIAL COMBINING MOF NANOPARTICLES AND METAL NANOPARTICLES Centre national de la recherche scientifique (FR) 2022-10-26 EP claimed
US-11426704-B2 Metal organic frameworks for the capture of volatile organic compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-08-30 US claimed
US-20210277042-A1 LOW TEMPERATURE PROCESS FOR THE SYNTHESIS OF MOF CARBOXYLATE NANOPARTICLES UNIVERSITÉ DE VERSAILLES - SAINT-QUENTIN-EN-YVELINES (FR) 2021-09-09 US claimed
EP-3453450-B1 USE OF METAL ORGANIC FRAMEWORKS FOR THE CAPTURE OF ACETIC ACID CENTRE NAT RECH SCIENT (FR) 2021-06-30 EP claimed
WO-2021123570-A1 COMPOSITE MATERIAL COMBINING MOF NANOPARTICLES AND METAL NANOPARTICLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-06-24 WO claimed
US-11034711-B2 Low temperature process for the synthesis of MOF carboxylate nanoparticles CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-06-15 US claimed
US-20200269211-A1 METAL ORGANIC FRAMEWORKS FOR THE CAPTURE OF VOLATIL ORGANIC COMPOUNDS ÉCOLE SUPÉRIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS (FR) 2020-08-27 US claimed
EP-3681627-A1 METAL ORGANIC FRAMEWORKS FOR THE CAPTURE OF VOLATIL ORGANIC COMPOUNDS Centre National De La Recherche Scientifique (FR) 2020-07-22 EP claimed
EP-3357929-B1 LOW TEMPERATURE PROCESS FOR THE SYNTHESIS OF MOF CARBOXYLATE NANOPARTICLES CENTRE NAT RECH SCIENT (FR) 2020-06-17 EP claimed
US-20110172412-A1 REDUCIBLE POROUS CRYSTALLINE HYBRID SOLID FOR THE SEPARATION OF MIXTURES OF MOLECULES HAVING DIFFERENT DEGREES AND/OR A DIFFERENT NUMBER OF UNSATURATIONS UNIVERSITE DE CAEN-BASSE NORMANDIE (FR) 2011-07-14 US claimed
US-20110052650-A1 POROUS CRYSTALLINE HYBRID SOLID FOR ADSORBING AND RELEASING GAS OF BIOLOGICAL INTEREST Centre National De La Recherche Scientifique - CNR S (FR) 2011-03-03 US claimed
EP-2260048-A1 POROUS CRYSTALLINE HYBRID SOLID FOR ADSORBING AND RELEASING GAS OF BIOLOGICAL INTEREST Centre National de la Recherche Scientifique - CNRS (FR) 2010-12-15 EP claimed
WO-2010136677-A1 USE OF A POROUS CRYSTALLINE HYBRID SOLID AS A NITROGEN OXIDE REDUCTION CATALYST AND DEVICES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE -CNRS (FR) 2010-12-02 WO claimed
US-20100226991-A1 SOLID INORGANIC/ORGANIC HYBRID WITH MODIFIED SURFACE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS- (FR) 2010-09-09 US claimed
US-20100209354-A1 ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2010-08-19 US claimed
EP-2193137-A1 ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES Centre National De La Recherche Scientifique-CNRS (FR) 2010-06-09 EP claimed
WO-2010058123-A1 METHOD FOR HYDROTHERMAL PREPARATION OF METAL-ORGANIC FRAMEWORK CRYSTALLISED POROUS ALUMINIUM CARBOXYLATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE -CNRS- (FR) 2010-05-27 WO claimed
WO-2009133278-A1 POROUS CRYSTALLINE HYBRID SOLID FOR ADSORBING AND RELEASING GAS OF BIOLOGICAL INTEREST CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2009-11-05 WO claimed
WO-2009077670-A1 ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2009-06-25 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 (6 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-20110052650-A1 POROUS CRYSTALLINE HYBRID SOLID FOR ADSORBING AND RELEASING GAS OF BIOLOGICAL INTEREST MITF, SLCO2B1, SLCO2A1 CYP1A2 1587/4885TSHR 977/4885HAAO 259/4885
US-20100226991-A1 SOLID INORGANIC/ORGANIC HYBRID WITH MODIFIED SURFACE SLCO2A1, SLCO4C1, SLCO2B1 CYP1A2 556/4885TSHR 1720/4885HAAO 453/4885
US-20210277042-A1 LOW TEMPERATURE PROCESS FOR THE SYNTHESIS OF MOF CARBOXYLATE NANOPARTICLES FTO, TPI1, ACP1 CYP1A2 1992/4885TSHR 3308/4885HAAO 5/4885
US-20110172412-A1 REDUCIBLE POROUS CRYSTALLINE HYBRID SOLID FOR THE SEPARATION OF MIXTURES OF MOLECULES HAVING DIFFERENT DEGREES AND/OR A DIFFERENT NUMBER OF UNSATURATIONS SORBS1, MRPS23, CTCF CYP1A2 3182/4885TSHR 4786/4885HAAO 973/4885
US-20100209354-A1 ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES SLC39A3, SLC40A1, AOC3 CYP1A2 1359/4885TSHR 2404/4885HAAO 153/4885
US-11034711-B2 Low temperature process for the synthesis of MOF carboxylate nanoparticles FTO, TPI1, ACP1 CYP1A2 1992/4885TSHR 3308/4885HAAO 5/4885

“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.