SCHEMBL6225488

SCHEMBL6225488

CC(Cl)CCC(Cl)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL1248824 0.82
SCHEMBL8375197 0.75
SCHEMBL7160307 0.73
SCHEMBL7870976 0.73
SCHEMBL16552631 0.73 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL7872900 0.72
SCHEMBL20360185 0.69
SCHEMBL21131283 0.69
SCHEMBL7872881 0.69
SCHEMBL7217395 0.67 ALDH1A1 (0.39) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250846-A1 Non-peptide GnRH agents, pharmaceutical compositions and methods for their use ANDERSON MARK B 2005-11-10 US disclosed
EP-1560818-A1 NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE PFIZER INC. (US) 2005-08-10 EP disclosed
US-6903132-B2 Non-peptide GnRH agents, pharmaceutical compositions and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-06-07 US disclosed
US-20040019072-A1 Dimer-selective RXR modulators and methods for their use CANAN-KOCH STACIE (US) 2004-01-29 US disclosed
WO-2003106446-A1 NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE PFIZER INC. (US) 2003-12-24 WO disclosed
EP-1336600-A2 Dimer-selective RXR modulators and methods for their use LIGAND PHARMACEUTICALS INCORPORATED (US) 2003-08-20 EP disclosed
US-6545049-B1 E.g., (2E, 4E, 6E)-7-(3,5-diisopropyl-2-n-heptyloxyphenyl)-3-methylocta-2,4,6-trienoic acid, esters or amides thereof LIGAND PHARMACEUTICALS INCORPORATED 2003-04-08 US disclosed
WO-2000026173-A1 NOVEL RETINOIDS, METHODS FOR THEIR PRODUCTION AND USE LIGAND PHARMACEUTICALS INCORPORATED (DE) 2000-05-11 WO disclosed
US-6005007-A SKIN DISORDERS LIGAND PHARMACEUTICALS INCORPORATED 1999-12-21 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 (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-20050250846-A1 Non-peptide GnRH agents, pharmaceutical compositions and methods for their use GNRHR, LHCGR, FSHR ALDH1A1 4773/4885TSHR 162/4885
US-20040019072-A1 Dimer-selective RXR modulators and methods for their use RXRG, RXRB, RXRA ALDH1A1 4172/4885TSHR 79/4885

“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.