SCHEMBL7334285

SCHEMBL7334285

CCCOc1cc(C(=O)O)ccc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.69
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
CA4 P22748 1/20 0.69
CA6 P23280 1/20 0.69
CA7 P43166 1/20 0.69
TPMT P51580 1/20 0.69
CA9 Q16790 1/20 0.69
CA14 Q9ULX7 1/20 0.69
TSHR P16473 1/20 0.67
SMPD1 P17405 4/20 0.62
PDE4B Q07343 2/20 0.59
PDE4D Q08499 2/20 0.59
POLB P06746 1/20 0.57
CASP6 P55212 1/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PDE4A P27815 1/20 0.56
PDE4C Q08493 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL177336 0.94 TSHR (0.77) CA12CA1CA2CA4CA6
SCHEMBL3884522 0.92 SMPD1 (0.68) CA12CA1CA2CA4CA6
SCHEMBL4496535 0.92 SMPD1 (0.72) CA12CA1CA2CA4CA6
SCHEMBL566516 0.92 POLB (0.66) CA12CA1CA2CA4CA6
SCHEMBL9305512 0.91 SMPD1 (0.75) CA12CA1CA2CA4CA6
SCHEMBL28051119 0.91 SMPD1 (0.75) CA12CA1CA2CA4CA6
SCHEMBL28604170 0.91 SMPD1 (0.75) CA12CA1CA2CA4CA6
SCHEMBL7175524 0.87 PDE4B (0.59) TSHRSMPD1PDE4BPDE4DHPGD
SCHEMBL621879 0.87 CA12 (0.69) CA12CA1CA2CA4CA6
SCHEMBL7358447 0.87 CA12 (0.69) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139521-A1 DIARYL TREHALOSE COMPOUNDS AND USES THEREOF THE UNIV OF MONTANA (US) 2021-05-13 US disclosed
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
WO-2013063243-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS NEW YORK UNIVERSITY (US) 2013-05-02 WO disclosed
US-6255326-B1 ANTIINFLAMMATORY AGENT; AUTOIMMUNE DISEASES AVENTIS PHARMA LIMITED (GB) 2001-07-03 US disclosed
US-6096768-A ADMINISTERING A 3, 5, 6-SUBSTITUTED PHENYL COMPOUND FOR THE TREATMENT OF INFLAMMATION AND AUTOIMMUNE DISORDERS RHONE-POULENC RORER LIMITED (GB) 2000-08-01 US disclosed
US-6090828-A ARTHERIOSCLEROSIS REITZ DAVID B (US) 2000-07-18 US disclosed
US-5935978-A Compounds containing phenyl linked to aryl or heteroaryl by an aliphatic- or heteroatom-containing linking group RHONE-POULENC RORER LIMITED (GB) 1999-08-10 US disclosed
US-5451593-A Method of using 5-arylheteroarylalkyl-1,3,5-trisubstituted-1,2,4-triazole compounds for treatment of a glaucoma disorder G. D. SEARLE & CO. (US) 1995-09-19 US disclosed
EP-0669311-A1 Benzamides RHONE POULENC RORER LIMITED (GB) 1995-08-30 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed
EP-0652868-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1995-05-17 EP disclosed
WO-1994002465-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1994-02-03 WO disclosed
US-5196537-A Angiotensin/II/ antagonists; hypotensive agents G. D. SEARLE & CO. (US) 1993-03-23 US disclosed
WO-1992016523-A1 5-ARYLHETEROARYLALKYL-1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-10-01 WO disclosed
EP-0504888-A1 5-Arylheteroarylalkyl-1,3,5-trisubstituted-1,2,4-triazole compounds for treatment of circulatory disorders G.D. Searle & Co. (US) 1992-09-23 EP disclosed
EP-0497564-A1 Benzamides RHONE POULENC RORER LIMITED (GB) 1992-08-05 EP disclosed
US-4337270-A ANTIALLERGENS; ANTIANAPHYLACTIC AGENTS HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1982-06-29 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 (2 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-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS ALDOA, DERA, TALDO1 CA12 4808/4885CA1 3936/4885CA2 1912/4885
US-20210139521-A1 DIARYL TREHALOSE COMPOUNDS AND USES THEREOF TREH, STT3B, DDOST CA12 757/4885CA1 1399/4885CA2 1958/4885

“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.