SCHEMBL805161

SCHEMBL805161

CCOc1ccc(C(C)(C)CC)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.61
NPC1 O15118 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
HRH3 Q9Y5N1 15/20 0.54
MAOB P27338 10/20 0.54
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL13554488 0.86 NPC1 (0.53) NPC1MAPTRAB9AHRH3MAOB
SCHEMBL11128383 0.85 NQO1 (0.58) NQO1NPC1MAPTRAB9AHRH3
SCHEMBL12841618 0.85 NPC1 (0.57) NQO1NPC1MAPTRAB9AHRH3
SCHEMBL1257955 0.83 SMN1; SMN2 (0.66) NQO1NPC1MAPTRAB9AHRH3
SCHEMBL10084514 0.83 HRH3 (0.64) HRH3MAOB
SCHEMBL8509041 0.83 NQO1 (0.56) NQO1NPC1MAPTRAB9ATSHR
SCHEMBL19232137 0.83 NQO1 (0.56) NQO1NPC1MAPTRAB9AHRH3
SCHEMBL7749333 0.83 NQO1 (0.56) NQO1NPC1MAPTRAB9AMAOB
SCHEMBL10939841 0.83 NQO1 (0.56) NQO1NPC1MAPTRAB9AHRH3
SCHEMBL13930782 0.83 NQO1 (0.61) NQO1MAPTTSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180095366-A1 NEGATIVE PHOTOSENSITIVE COMPOSITION AND PATTERN FORMATION METHOD TOKYO OHKA KOGYO CO., LTD. (JP) 2018-04-05 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-9821338-B2 Method of producing structure containing phase-separated structure utilizing a brush composition comprising PS-PMMA TOKYO OHKA KOGYO., LTD. (JP) 2017-11-21 US disclosed
US-9776208-B2 Brush composition, and method of producing structure containing phase-separated structure TOKYO OHKA KOGYO CO., LTD. (JP) 2017-10-03 US disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 US disclosed
US-9675571-B2 Inhibitors of indoleamine 2,3-dioxygenase (IDO) BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-13 US disclosed
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-20160194751-A1 BRUSH COMPOSITION, AND METHOD OF PRODUCING STRUCTURE CONTAINING PHASE-SEPARATED STRUCTURE TOKYO OHKA KOGYO CO., LTD. (JP) 2016-07-07 US disclosed
US-20160194524-A1 BRUSH COMPOSITION AND METHOD OF PRODUCING STRUCTURE CONTAINING PHASE-SEPARATED STRUCTURE TOKYO OHKA KOGYO CO., LTD. (JP) 2016-07-07 US disclosed
US-20140178806-A1 NEGATIVE ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM USING THE SAME, RESIST-COATED MASK BLANKS, RESIST PATTERN FORMING METHOD, AND PHOTOMASK FUJIFILM CORPORATION (JP) 2014-06-26 US disclosed
US-20140178806-A1 NEGATIVE ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM USING THE SAME, RESIST-COATED MASK BLANKS, RESIST PATTERN FORMING METHOD, AND PHOTOMASK FUJIFILM CORPORATION (JP) 2014-06-26 US disclosed
WO-2013062079-A1 DIHYDROIMIDAZOOXAZOLE DERIVATIVE 大正製薬株式会社 (JP) 2013-05-02 WO disclosed
US-8151705-B2 Method of preparing lithographic printing plate FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CORNERSTONE THERAPEUTICS, INC. (US) 2012-03-22 US disclosed
US-20100275988-A1 PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2010-11-04 US disclosed
US-20100081771-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-7592349-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-09-22 US disclosed
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-7279539-B2 Alkali-soluble polymer and polymerizable composition thereof FUJIFILM CORPORATION (JP) 2007-10-09 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 (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-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT NQO1 30/4885NPC1 2825/4885MAPT 1988/4885
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CHRNA7, CHRNA5, CHRNA2 NQO1 920/4885NPC1 1706/4885MAPT 2141/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT NQO1 47/4885NPC1 2350/4885MAPT 3241/4885
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRM5 NQO1 968/4885NPC1 2069/4885MAPT 3014/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE NQO1 3383/4885NPC1 2326/4885MAPT 4217/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT NQO1 47/4885NPC1 2350/4885MAPT 3241/4885

“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.