SCHEMBL6680488

SCHEMBL6680488

CCC(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 3/20 0.50
CYP1A2 P05177 2/20 0.49
TDP1 Q9NUW8 5/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL27455401 0.86 TSHR (0.68) ALDH1A1TSHRCYP1A2TDP1MAPT
SCHEMBL20921370 0.86 ALDH1A1 (0.47) ALDH1A1TSHRCYP1A2TDP1MAPT
SCHEMBL3323932 0.85 ALDH1A1 (0.50) ALDH1A1TSHRCYP1A2TDP1MAPT
SCHEMBL11254195 0.84 CYP1A2 (0.50) ALDH1A1TSHRCYP1A2TDP1HSD17B10
SCHEMBL16674748 0.84 ALDH1A1 (0.49) ALDH1A1TSHRCYP1A2TDP1MAPT
SCHEMBL23861299 0.84 ALDH1A1 (0.49) ALDH1A1TSHRCYP1A2TDP1HSD17B10
SCHEMBL992973 0.84 ALDH1A1 (0.53) ALDH1A1TSHRCYP1A2TDP1HSD17B10
SCHEMBL29695357 0.84 ALDH1A1 (0.53) ALDH1A1TSHRCYP1A2TDP1HSD17B10
SCHEMBL7777994 0.84 ALDH1A1 (0.50) ALDH1A1TSHRCYP1A2TDP1HSD17B10
SCHEMBL6680574 0.83 ALDH1A1 (0.45) ALDH1A1TSHRCYP1A2TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11191752-B2 Compounds and methods of treating retinal degeneration CASE WESTERN RESERVE UNIVERSITY (US) 2021-12-07 US disclosed
US-20200230119-A1 COMPOUNDS AND METHODS OF TREATING RETINAL DEGENERATION CASE WESTERN RESERVE UNIVERSITY 2020-07-23 US disclosed
US-9670198-B2 Nicotinic acetylcholine receptor modulators ASTRAEA THERAPEUTICS, LLC (US) 2017-06-06 US disclosed
US-9598713-B2 Method for constructing functional nucleic acid molecule, and nucleic acid combination to be used in said method JAPANESE SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-03-21 US disclosed
US-20150118713-A1 METHOD FOR CONSTRUCTING FUNCTIONAL NUCLEIC ACID MOLECULE, AND NUCLEIC ACID COMBINATION TO BE USED IN SAID METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-04-30 US disclosed
WO-2012018662-A2 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS SCHERING CORPORATION (US) 2012-02-09 WO disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-5711020-A BIODEGRADATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ENVIRONMENTAL PROTECTION AGENCY (US) 1998-01-20 US disclosed
EP-0034292-B1 PROCESS FOR THE PREPARATION OF ANTHRANILIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-23 EP disclosed
EP-0034292-A2 Process for the preparation of anthranilic acid derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-08-26 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-20200230119-A1 COMPOUNDS AND METHODS OF TREATING RETINAL DEGENERATION PDE6A, PDE6H, PDE6D ALDH1A1 1072/4885TSHR 2386/4885CYP1A2 3645/4885
US-11191752-B2 Compounds and methods of treating retinal degeneration PDE6A, PDE6H, PDE6D ALDH1A1 1072/4885TSHR 2386/4885CYP1A2 3645/4885

“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.