SCHEMBL4132017

SCHEMBL4132017

CC(=O)c1cc(C)cc([N+](=O)[O-])c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 7/20 0.69
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
TTR P02766 2/20 0.45
ABCC3 O15438 1/20 0.45
ABCC4 O15439 1/20 0.45
NR1I2 O75469 1/20 0.45
ABCB11 O95342 1/20 0.45
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
HTR1A P08908 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
RARB P10826 1/20 0.45
COMT P21964 1/20 0.45
SLC6A2 P23975 1/20 0.45
ADORA1 P30542 1/20 0.45

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
SCHEMBL31392530 1.00 GPR35 (0.69) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL8977819 0.86 GPR35 (0.69) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL19785779 0.84 GPR35 (0.55) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL17347339 0.84 GPR35 (0.46) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL322531 0.82 GPR35 (1.00) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL11067720 0.82 GPR35 (0.61) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL11074065 0.81 GPR35 (0.62) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL11069356 0.81 GPR35 (0.62) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL11067071 0.81 GPR35 (0.62) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL11065981 0.81 GPR35 (0.62) GPR35ALDH1A1MAPTMEN1KMT2A

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-9870909-B2 Compositions and methods for mass spectometry MSTM, LLC 2018-01-16 US claimed
US-11872236-B2 Pharmacological agents for treating ocular diseases CALASIA PHARMACEUTICALS, INC. (US) 2024-01-16 US disclosed
US-11872236-B2 Pharmacological agents for treating ocular diseases CALASIA PHARMACEUTICALS, INC. (US) 2024-01-16 US disclosed
US-9870909-B2 Compositions and methods for mass spectometry MSTM, LLC 2018-01-16 US disclosed
US-20150364311-A1 COMPOSITIONS AND METHODS FOR MASS SPECTOMETRY MSTM, LLC 2015-12-17 US disclosed
US-8519168-B2 Process and intermediates for the synthesis of 1,2-substituted 3,4-dioxo-1-cyclobutene compounds MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-20110160469-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS MERCK SHARP & DOHME LLC 2011-06-30 US disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20040049072-A1 RXR modulators with improved pharmacologic profile LIGAND PHARMACEUTICALS INC 2004-03-11 US disclosed
US-6683095-B2 ANTICARCINOGENIC AGENTS; ANTIPROLIFERATION AGENTS LG LIFE SCIENCES LTD. (KR) 2004-01-27 US disclosed
US-6593493-B1 2-(Carboxy(unsaturated)alkyl)-1-(haloalkoxy)benzene derivatives; retinoid X receptors; cardiovascular, skin, eating and vision disorders; anticarcinogenic agents; non-insulin-dependent diabetes LIGAND PHARMACEUTICALS, INC. 2003-07-15 US disclosed
US-20030125356-A1 Cdk inhibitors having 3-hydroxychromen-4-one structure LG LIFE SCIENCES LTD. (KR) 2003-07-03 US disclosed
EP-1216221-A2 RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-26 EP disclosed
WO-2001019770-A2 RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-22 WO disclosed
EP-0485984-B1 Diarylmethoxypiperidine derivatives UBE INDUSTRIES (JP) 1996-04-24 EP disclosed
US-5225559-A DIARYLMETHOXYPIPERIDINE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 1993-07-06 US disclosed
EP-0485984-A2 Diarylmethoxypiperidine derivatives UBE INDUSTRIES, LTD. (JP) 1992-05-20 EP disclosed
US-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 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 (5 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-20110160469-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS CCL2, CCR1, CXCR1 GPR35 2134/4885ALDH1A1 1721/4885MAPT 4588/4885
US-20030125356-A1 Cdk inhibitors having 3-hydroxychromen-4-one structure CDK4, CDK3, CDK6 GPR35 2278/4885ALDH1A1 1157/4885MAPT 2270/4885
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 GPR35 3673/4885ALDH1A1 2299/4885MAPT 2748/4885
US-11872236-B2 Pharmacological agents for treating ocular diseases CRYAA, CRYAB, TTR GPR35 897/4885ALDH1A1 1822/4885MAPT 14/4885
US-20040049072-A1 RXR modulators with improved pharmacologic profile RXRB, RXRG, RXRA GPR35 46/4885ALDH1A1 3038/4885MAPT 4169/4885

“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.