Dinitro Cresol

Dinitro Cresol

SCHEMBL3252327

Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.[Zn+2]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 7/20 0.96
ALDH1A1 P00352 4/20 0.96
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
MAPK1 P28482 3/20 0.63
TDP1 Q9NUW8 3/20 0.63
HPGD P15428 2/20 0.63
MAPT P10636 2/20 0.63
KDM4E B2RXH2 1/20 0.63
TTR P02766 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
ALOX15 P16050 1/20 0.63
ALOX12 P18054 1/20 0.63
RECQL P46063 1/20 0.63
PMP22 Q01453 1/20 0.63
HIF1A Q16665 1/20 0.63
HSD17B10 Q99714 1/20 0.63
HTT P42858 3/20 0.52
LMNA P02545 1/20 0.52

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
Dinitro Cresol SCHEMBL29430312 0.98 GPR35 (1.00) GPR35ALDH1A1KMT2AMEN1MAPK1
Dinitro Cresol SCHEMBL8873755 0.98 GPR35 (1.00) GPR35ALDH1A1KMT2AMEN1MAPK1
Dinitro Cresol SCHEMBL20734 0.98 GPR35 (1.00) GPR35ALDH1A1KMT2AMEN1MAPK1
Dinitro Cresol SCHEMBL11029120 0.96 GPR35 (0.96) GPR35ALDH1A1KMT2AMEN1MAPK1
Dinitro Cresol SCHEMBL7108490 0.96 GPR35 (0.96) GPR35ALDH1A1KMT2AMEN1MAPK1
Dinitro Cresol SCHEMBL1260257 0.96 GPR35 (0.96) GPR35ALDH1A1KMT2AMEN1MAPK1
Dinitro Cresol SCHEMBL711035 0.96 GPR35 (0.96) GPR35ALDH1A1KMT2AMEN1MAPK1
Dinitro Cresol SCHEMBL9640831 0.96 GPR35 (0.96) GPR35ALDH1A1KMT2AMEN1MAPK1
Dinitro Cresol SCHEMBL906844 0.96 GPR35 (0.96) GPR35ALDH1A1KMT2AMEN1MAPK1
Dinitro Cresol SCHEMBL6859521 0.96 GPR35 (0.96) GPR35ALDH1A1KMT2AMEN1MAPK1

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
EP-2592084-B1 Process for producing pyripyropene derivatives and intermediates for the production thereof. MEIJI SEIKA PHARMA CO LTD (JP) 2014-07-09 EP disclosed
US-8759529-B2 Process for producing pyripyropene derivatives and intermediates for the production thereof BASF SE (DE) 2014-06-24 US disclosed
EP-2592084-A1 Process for producing pyripyropene derivatives and intermediates for the production thereof. Meiji Seika Pharma Co., Ltd. (JP) 2013-05-15 EP disclosed
US-20120330021-A1 PROCESS FOR PRODUCING PYRIPYROPENE DERIVATIVES AND INTERMEDIATES FOR THE PRODUCTION THEREOF BASF SE (DE) 2012-12-27 US disclosed
US-8263778-B2 Process for producing pyripyropene derivatives and intermediates for the production thereof MEIJI SEIKA PHARMA CO., LTD. (JP) 2012-09-11 US disclosed
US-20100160640-A1 PROCESS FOR PRODUCING PYRIPYROPENE DERIVATIVES AND INTERMEDIATES FOR THE PRODUCTION THEREOF MEIJI SEIKA KAISHA, LTD. 2010-06-24 US disclosed
EP-2186815-A1 METHOD FOR PRODUCING PYRIPYROPENE DERIVATIVE AND PRODUCTION INTERMEDIATE THEREOF MEIJI SEIKA KAISHA LTD. (JP) 2010-05-19 EP 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-20120330021-A1 PROCESS FOR PRODUCING PYRIPYROPENE DERIVATIVES AND INTERMEDIATES FOR THE PRODUCTION THEREOF CYP51A1, POR, COASY GPR35 2674/4885ALDH1A1 2125/4885KMT2A 2538/4885
US-20100160640-A1 PROCESS FOR PRODUCING PYRIPYROPENE DERIVATIVES AND INTERMEDIATES FOR THE PRODUCTION THEREOF PC, CBR3, AKR1C3 GPR35 1508/4885ALDH1A1 3899/4885KMT2A 2829/4885

“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.