SCHEMBL2432443

SCHEMBL2432443

CCc1cc(C=O)ccc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.66
TSHR P16473 1/20 0.66
FDPS P14324 1/20 0.61
AOX1 Q06278 1/20 0.59
HPGD P15428 2/20 0.57
CYP1A2 P05177 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
KMT2A Q03164 1/20 0.57
TRIM24 O15164 1/20 0.55
ALDH5A1 P51649 1/20 0.55
ABAT P80404 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
TRIM33 Q9UPN9 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
TTR P02766 1/20 0.51
LMNA P02545 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL29957052 1.00 ALDH1A1 (0.66) ALDH1A1TSHRFDPSAOX1HPGD
SCHEMBL16930085 0.87 ALDH1A1 (0.59) ALDH1A1TSHRFDPSAOX1HPGD
SCHEMBL2843892 0.86 ALDH1A1 (0.58) ALDH1A1TSHRFDPSAOX1HPGD
SCHEMBL2241869 0.85 ALDH1A1 (0.61) ALDH1A1TSHRFDPSAOX1HPGD
SCHEMBL29637919 0.85 ALDH1A1 (0.61) ALDH1A1TSHRFDPSAOX1HPGD
SCHEMBL24489075 0.85 ALDH1A1 (0.61) ALDH1A1TSHRFDPSAOX1HPGD
SCHEMBL15857953 0.85 ALDH1A1 (0.62) ALDH1A1TSHRFDPSAOX1HPGD
SCHEMBL29955595 0.85 ALDH1A1 (0.61) ALDH1A1TSHRFDPSAOX1HPGD
SCHEMBL13819488 0.85 ALDH1A1 (0.61) ALDH1A1TSHRFDPSAOX1HPGD
SCHEMBL30271611 0.85 ALDH1A1 (0.66) ALDH1A1TSHRFDPSAOX1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552880-B1 PROCESS FOR PREPARING HYDROXY-SUBSTITUTED AROMATIC ALDEHYDES BASF SE (DE) 2018-03-07 EP disclosed
WO-2016189553-A1 MAGNETICALLY SEPARABLE IRON-BASED HETEROGENEOUS CATALYSTS FOR DEHYDROGENATION OF ALCOHOLS AND AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-12-01 WO disclosed
US-8957230-B2 Synthesis of cleistanthin A and derivatives thereof GODAVARI BIOREFINERIES LIMITED (IN) 2015-02-17 US disclosed
US-8957230-B2 Synthesis of cleistanthin A and derivatives thereof GODAVARI BIOREFINERIES LIMITED (IN) 2015-02-17 US disclosed
EP-2582674-B1 GPR120 RECEPTOR AGONISTS AND USES THEREOF CYMABAY THERAPEUTICS INC (US) 2014-10-01 EP disclosed
EP-2582674-B1 GPR120 RECEPTOR AGONISTS AND USES THEREOF CYMABAY THERAPEUTICS INC (US) 2014-10-01 EP disclosed
CN-103980235-A GPR120 receptor agonists and uses thereof CYMABAY THERAPEUTICS INC 2014-08-13 CN disclosed
CN-102307860-B GPR120 receptor agonists and uses thereof METABOLEX INC 2014-07-02 CN disclosed
US-20140121246-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2014-05-01 US disclosed
US-8609903-B2 Process for preparing hydroxy-substituted aromatic aldehydes BASF SE (DE) 2013-12-17 US disclosed
EP-1149069-B1 PHENYLGLYCINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2004-02-19 US disclosed
US-6683215-B2 TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION AND ARTERIOSCLEROSIS, WHICH ARE ASSOCIATED WITH COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA AND TISSUE FACTOR; ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. 2004-01-27 US disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 US disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed
US-4024274-A Benzylamine derivatives and process for preparing them HOECHST AKTIENGESELLSCHAFT (DT) 1977-05-17 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 (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-20140121246-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF GPR119, GPR52, GCGR ALDH1A1 3347/4885TSHR 393/4885FDPS 3597/4885
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885TSHR 3764/4885FDPS 4335/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885TSHR 3764/4885FDPS 4335/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885TSHR 3764/4885FDPS 4335/4885

“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.