SCHEMBL59025

SCHEMBL59025

[O]C1CCCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.45
BLM P54132 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX1 P07099 1/20 0.45
XBP1 P17861 1/20 0.44
ADRA2A P08913 2/20 0.44
ADRA1A P35348 2/20 0.44
LMNA P02545 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1B P35368 1/20 0.44
HTR1A P08908 1/20 0.44
OPRM1 P35372 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL18702638 0.94 TSHR (0.48) IDO1HTTALDH1A1TSHRBLM
SCHEMBL57131 0.86 IDO1 (0.50) IDO1
SCHEMBL29357487 0.77 IDO1 (0.57) IDO1HTTTSHRADRA2AADRA1A
SCHEMBL145977 0.77 IDO1 (0.57) IDO1HTTTSHRADRA2AADRA1A
SCHEMBL13082165 0.76 IDO1 (0.55) IDO1HTTALDH1A1TSHRBLM
SCHEMBL4756410 0.75 IDO1 (0.50) IDO1HTTALDH1A1TSHRBLM
SCHEMBL3812210 0.75 IDO1 (0.50) IDO1HTTALDH1A1TSHRBLM
SCHEMBL5732694 0.75 IDO1 (0.50) IDO1HTTALDH1A1TSHRBLM
SCHEMBL177082 0.75 IDO1 (0.50) IDO1HTTALDH1A1TSHRBLM
SCHEMBL1705439 0.74 IDO1 (0.53) IDO1HTTALDH1A1TSHRBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116854632-A Synthesis method and application of large-steric-hindrance heteroatom compound 深圳职业技术学院 2023-10-10 CN claimed
CN-111747827-A Biphenyl triphenol compound and preparation method and application thereof 南方科技大学 2020-10-09 CN claimed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US claimed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP claimed
US-20150239889-A1 PYRAZOLOPYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-27 US claimed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 WO claimed
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP claimed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP claimed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US claimed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US claimed
US-5185460-A Reacting hydrogen cyanide with desired mercaptan; recovering salt; intermediates for funcicides, herbicides, dyes, perfumes NIPPON SODA CO., LTD. (JP) 1993-02-09 US claimed
EP-0378707-B1 AMINOACETONITRILE DERIVATIVES NIPPON SODA CO., LTD. (JP) 1993-01-20 EP claimed
EP-0378707-A1 AMINOACETONITRILE DERIVATIVES. NIPPON SODA CO (JP) 1990-07-25 EP claimed
WO-1990000543-A1 AMINOACETONITRILE DERIVATIVES NIPPON SODA CO., LTD. (JP) 1990-01-25 WO claimed
EP-0211004-A1 USE OF ACYL UREA COMPOUNDS FOR CONTROLLING ENDOPARASITES AND ECTOPARASITES OF WARM-BLOODED ANIMALS RHONE-POULENC NEDERLAND B.V. (NL) 1987-02-25 EP claimed
WO-1986003941-A1 USE OF ACYL UREA COMPOUNDS FOR CONTROLLING ENDOPARASITES AND ECTOPARASITES OF WARM-BLOODED ANIMALS UNION CARBIDE CORPORATION (US) 1986-07-17 WO claimed
US-4369189-A INSECTICIDES, MITICIDES NEMATOCIDES UNION CARBIDE CORPORATION (US) 1983-01-18 US claimed
EP-0001267-B1 MASS COLORATION OF LINEAR POLYESTERS CIBA-GEIGY AG (CH) 1981-09-16 EP claimed
US-4231918-A THIOINDIGO OR DIOXAZINE PIGMENT AND DYE CIBA-GEIGY CORPORATION (US) 1980-11-04 US claimed
US-3948877-A POLYACRYLONITRILE, ACID MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US 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 (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-20150239889-A1 PYRAZOLOPYRIMIDINE COMPOUND HIF1AN, EGLN2, EGLN3 IDO1 1056/4885HTT 1001/4885ALDH1A1 379/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 IDO1 2430/4885HTT 1138/4885ALDH1A1 1611/4885

“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.