SCHEMBL2962447

SCHEMBL2962447

S=C1C2CC3CC(C2)CC1C3

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL5155267 0.86 TSHR (0.33) TSHR
SCHEMBL2815843 0.69 TSHR (0.38) TSHRKDM4EALDH1A1LMNA
SCHEMBL6505047 0.66
Adamantane SCHEMBL29707714 0.66 CYP2C9 (0.46) TSHRLMNA
Adamantane SCHEMBL12761 0.66 CYP2C9 (0.46) TSHRLMNA
Adamantane SCHEMBL9016497 0.66 CYP2C9 (0.46) TSHRLMNA
Adamantane SCHEMBL1527414 0.66 CYP2C9 (0.46) TSHRLMNA
SCHEMBL4721541 0.64 TSHR (0.40) TSHRKDM4EALDH1A1LMNA
SCHEMBL71132 0.64 TSHR (0.40) TSHRKDM4EALDH1A1LMNA
SCHEMBL10285140 0.64 TSHR (0.40) TSHRKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9201168-B2 Polymerizable inorganic-particle dispersant, inorganic-organic composite particles containing said polymerizable inorganic-particle dispersant, and inorganic-organic resin composite material NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2015-12-01 US disclosed
US-9201168-B2 Polymerizable inorganic-particle dispersant, inorganic-organic composite particles containing said polymerizable inorganic-particle dispersant, and inorganic-organic resin composite material NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2015-12-01 US disclosed
WO-2015035234-A2 ANTI-MICROBIAL COMPOUNDS AND COMPOSITIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-03-12 WO disclosed
EP-2762225-A1 POLYMERIZABLE INORGANIC PARTICLE-DISPERSING AGENT, INORGANIC/ORGANIC COMPOSITE PARTICLES CONTAINING SAID POLYMERIZABLE INORGANIC PARTICLE-DISPERSING AGENT, AND INORGANIC/ORGANIC RESIN COMPOSITE Nippon Kasei Chemical Company Limited (JP) 2014-08-06 EP disclosed
US-20140213725-A1 POLYMERIZABLE INORGANIC-PARTICLE DISPERSANT, INORGANIC-ORGANIC COMPOSITE PARTICLES CONTAINING SAID POLYMERIZABLE INORGANIC-PARTICLE DISPERSANT, AND INORGANIC-ORGANIC RESIN COMPOSITE MATERIAL NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2014-07-31 US disclosed
US-20140213725-A1 POLYMERIZABLE INORGANIC-PARTICLE DISPERSANT, INORGANIC-ORGANIC COMPOSITE PARTICLES CONTAINING SAID POLYMERIZABLE INORGANIC-PARTICLE DISPERSANT, AND INORGANIC-ORGANIC RESIN COMPOSITE MATERIAL NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2014-07-31 US disclosed
US-7772278-B2 Nitrosated and nitrosylated prostaglandins, compositions and methods of use NITROMED, INC. (US) 2010-08-10 US disclosed
US-20090088366-A1 NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2009-04-02 US disclosed
US-7449595-B2 for treating or preventing sexual dysfunctions in males and females, for enhancing sexual responses in males and females, and for treating or preventing cerebrovascular disorders, cardiovascular disorders, benign prostatic hyperplasia (BPH), glaucoma, peptic ulcers or for inducing abortions NITROMED, INC. (US) 2008-11-11 US disclosed
EP-1109542-A4 NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2008-03-26 EP disclosed
WO-2003086282-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2003-10-23 WO disclosed
US-6552047-B2 For therapy and prophylaxis of gastrointestinal disorders; inflammations, viral infections, multiple sclerosis; decreasing the recurrence of ulcers; facilitating ulcer healing NITROMED, INC. 2003-04-22 US disclosed
US-20030060492-A1 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use CHIA-EN LIN. 2003-03-27 US disclosed
US-6469065-B1 COMPOUND THAT DONATES, TRANSFERS OR RELEASES NITRIC OXIDE, ELEVATES ENDOGENOUS LEVELS OF NITRIC OXIDE NITROMED, INC. 2002-10-22 US disclosed
US-20020143007-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonists, compositions and methods of use GARVEY DAVID S (US) 2002-10-03 US disclosed
US-20020077343-A1 H2 RECEPTOR ANTAGONIST COMPOUNDS IN COMBINATION WITH NITRIC OXIDE DONORS, COMPOSTIONS AND METHODS OF USE NICOX S.A. (FR) 2002-06-20 US disclosed
EP-1154771-A1 NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-11-21 EP disclosed
EP-1109542-A1 NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-06-27 EP disclosed
WO-2000050037-A1 NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-08-31 WO disclosed
WO-2000012075-A1 NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-03-09 WO 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 (4 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-20090088366-A1 NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METHODS OF USE PTGIS, PGF, PTGS1 TSHR 1884/4885KDM4E 4423/4885ALDH1A1 500/4885
US-20020143007-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonists, compositions and methods of use ADRB1, ADRB3, ADRA1D TSHR 1408/4885KDM4E 2640/4885ALDH1A1 610/4885
US-20030060492-A1 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use HRH2, NOS2, HRH1 TSHR 160/4885KDM4E 4246/4885ALDH1A1 3366/4885
US-20020077343-A1 H2 RECEPTOR ANTAGONIST COMPOUNDS IN COMBINATION WITH NITRIC OXIDE DONORS, COMPOSTIONS AND METHODS OF USE HRH2, HCAR2, NOS2 TSHR 211/4885KDM4E 4313/4885ALDH1A1 3491/4885

“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.