SCHEMBL3630624

SCHEMBL3630624

O=[N+]([O-])c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.60
RORC P51449 1/20 0.50
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 5/20 0.48
POLB P06746 1/20 0.48
HIF1A Q16665 1/20 0.47
PDE7A Q13946 4/20 0.47
VCAM1 P19320 1/20 0.46
KDM1A O60341 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
HSD11B1 P28845 1/20 0.45
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL31318376 1.00 HSD17B10 (0.60) HSD17B10RORCKMT2AALDH1A1POLB
SCHEMBL6050849 0.86 HSD17B10 (0.56) HSD17B10RORCKMT2AALDH1A1POLB
SCHEMBL29563911 0.85 HSD17B10 (0.60) HSD17B10RORCKMT2AALDH1A1POLB
SCHEMBL1148427 0.85 HSD17B10 (0.60) HSD17B10RORCKMT2AALDH1A1POLB
Selenium SCHEMBL10605380 0.84 HSD17B10 (0.58) HSD17B10RORCKMT2AALDH1A1POLB
SCHEMBL11300569 0.83 HSD17B10 (0.62) HSD17B10KMT2AALDH1A1HIF1APDE7A
SCHEMBL1999857 0.82 PDE7A (0.54) HSD17B10KMT2AALDH1A1POLBHIF1A
SCHEMBL4641866 0.81 HSD17B10 (0.60) HSD17B10KMT2AALDH1A1PDE7AVCAM1
SCHEMBL27775732 0.80 HSD17B10 (0.58) HSD17B10KMT2AALDH1A1HIF1APDE7A
SCHEMBL30619304 0.79 ALDH1A1 (0.53) HSD17B10RORCKMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962890-B1 Multifunctional crosslinkers for shape-memory polyimides, polyamides and poly(amide-imides) and methods of making the same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2015-02-24 US claimed
CN-100368383-C Fluorine containing asymmetric aromatic ether diamine and preparation and use thereof UNIV LANZHOU (CN) 2008-02-13 CN claimed
CN-1821215-A Fluorine containing asymmetric aromatic ether diamine and preparation and use thereof UNIV LANZHOU (CN) 2006-08-23 CN claimed
US-10584110-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2020-03-10 US disclosed
US-20180208575-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2018-07-26 US disclosed
US-9878991-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2018-01-30 US disclosed
US-20160355499-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2016-12-08 US disclosed
US-9365563-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2016-06-14 US disclosed
EP-2604598-B1 TRPV1 antagonists and uses thereof PURDUE PHARMA LP (US) 2016-04-06 EP disclosed
US-8962890-B1 Multifunctional crosslinkers for shape-memory polyimides, polyamides and poly(amide-imides) and methods of making the same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2015-02-24 US disclosed
US-8962890-B1 Multifunctional crosslinkers for shape-memory polyimides, polyamides and poly(amide-imides) and methods of making the same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2015-02-24 US disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
EP-0272728-B1 PROCESS FOR THE PREPARATION OF POLYMERS OF C0 AND OLEFINICALLY UNSATURATED COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-04-07 EP disclosed
EP-0272728-A2 Process for the preparation of polymers of C0 and olefinically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-06-29 EP disclosed
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 US disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 US disclosed
US-4181519-A Diphenylamine derivative herbicides SHELL OIL COMPANY (US) 1980-01-01 US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 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 (3 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-20180208575-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 HSD17B10 2157/4885RORC 434/4885KMT2A 4058/4885
US-20160355499-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 HSD17B10 2157/4885RORC 434/4885KMT2A 4058/4885
US-10584110-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof TRPV1, TRPA1, TRPV5 HSD17B10 2157/4885RORC 434/4885KMT2A 4058/4885

“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.