SCHEMBL2563096

SCHEMBL2563096

Nc1ccc(OCC2CCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 9/20 0.62
PARP15 Q460N3 8/20 0.62
PARP2 Q9UGN5 2/20 0.62
NFE2L2 Q16236 1/20 0.61
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 3/20 0.44
MCHR1 Q99705 1/20 0.43

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
SCHEMBL745672 0.96 NFE2L2 (0.66) PARP10PARP15PARP2NFE2L2TDP1
SCHEMBL2657957 0.94 NFE2L2 (0.69) PARP10PARP15PARP2NFE2L2HPGD
SCHEMBL2565996 0.92 PARP15 (0.59) PARP10PARP15PARP2NFE2L2TDP1
Ethane SCHEMBL7214461 0.91 NFE2L2 (0.65) PARP10PARP15PARP2NFE2L2TDP1
SCHEMBL31434447 0.83 PARP15 (0.56) PARP10PARP15PARP2NFE2L2TDP1
SCHEMBL14320483 0.83 PARP15 (0.47) PARP10PARP15PARP2NFE2L2TDP1
SCHEMBL20969686 0.82 PARP15 (0.55) PARP10PARP15PARP2
SCHEMBL1674238 0.80 CXCR1 (0.50)
SCHEMBL29024848 0.80 PARP15 (0.64) PARP10PARP15PARP2TDP1
SCHEMBL3184573 0.80 MAOA (0.53) PARP10PARP15PARP2NFE2L2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-01 US disclosed
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-01 US disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed
EP-1551810-B1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-11-30 EP disclosed
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES PARP10 2174/4885PARP15 1905/4885PARP2 4188/4885
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS AHR, TYR, CYP1A1 PARP10 341/4885PARP15 364/4885PARP2 292/4885

“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.