SCHEMBL82940

SCHEMBL82940

ClC(c1cc[c]cc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.39
KCNN4 O15554 4/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP19A1 P11511 2/20 0.35
MAPK1 P28482 1/20 0.32
TAAR1 Q96RJ0 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
ALOX15 P16050 1/20 0.30

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
Chlorotriphenylmethane SCHEMBL27845684 0.87 TSHR (0.61) TSHRCYP1A2KCNN4ALDH1A1CYP19A1
SCHEMBL8309862 0.85 TSHR (0.48) TSHRCYP1A2KCNN4ALDH1A1MAPK1
Chlorotriphenylmethane SCHEMBL461 0.84 TSHR (0.65) TSHRCYP1A2KCNN4ALDH1A1CYP19A1
Chlorotriphenylmethane SCHEMBL16781670 0.84 TSHR (0.65) TSHRCYP1A2KCNN4ALDH1A1CYP19A1
Chlorotriphenylmethane SCHEMBL7246540 0.81 TSHR (0.61) TSHRCYP1A2KCNN4ALDH1A1CYP19A1
Chlorotriphenylmethane SCHEMBL113884 0.81 TSHR (0.61) TSHRCYP1A2KCNN4ALDH1A1CYP19A1
Chlorotriphenylmethane SCHEMBL29446246 0.81 TSHR (0.61) TSHRCYP1A2KCNN4ALDH1A1CYP19A1
Chlorotriphenylmethane SCHEMBL11237663 0.81 TSHR (0.61) TSHRCYP1A2KCNN4ALDH1A1CYP19A1
Chlorotriphenylmethane SCHEMBL7567317 0.81 TSHR (0.61) TSHRCYP1A2KCNN4ALDH1A1CYP19A1
Chlorotriphenylmethane SCHEMBL28253307 0.81 TSHR (0.61) TSHRCYP1A2KCNN4ALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4790179-B2 2011-10-12 JP claimed
US-20090306030-A1 Methods Of Inhibiting Osteoclast Activity THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-12-10 US claimed
EP-1207873-A4 METHODS OF INHIBITING OSTEOCLAST ACTIVITY UNIV PENNSYLVANIA (US) 2006-04-12 EP claimed
US-20050080133-A1 Methods of inhibiting osteoclast activity GREENE MARK I (US) 2005-04-14 US claimed
JP-2003505503-A 2003-02-12 JP claimed
EP-1207873-A1 METHODS OF INHIBITING OSTEOCLAST ACTIVITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2002-05-29 EP claimed
WO-2001008677-A1 METHODS OF INHIBITING OSTEOCLAST ACTIVITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2001-02-08 WO claimed
US-8785419-B2 Cavity induced allosteric modification of intermolecular interactions and methods of identifying compounds that effect the same THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-07-22 US disclosed
US-8019557-B2 Cavity induced allosteric modification of intermolecular interactions and methods of identifying compounds that effect the same THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-09-13 US disclosed
US-8003628-B2 Methods of inhibiting osteoclast activity THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-08-23 US disclosed
EP-2196930-B1 Cavity induced allosteric modificatin of intermolecular interactions and methods of identifiying compounds that effect the same UNIV PENNSYLVANIA (US) 2011-03-23 EP disclosed
US-20100151507-A1 Cavity Induced Allosteric Modification Of Intermolecular Interactions And Methods Of Identifying Compounds That Effect The Same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-06-17 US disclosed
EP-2196930-A1 Cavity induced allosteric modificatin of intermolecular interactions and methods of identifiying compounds that effect the same THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-06-16 EP disclosed
EP-1091974-A4 CAVITY INDUCED ALLOSTERIC MODIFICATION OF INTERMOLECULAR INTERACTIONS AND METHODS OF IDENTIFYING COMPOUNDS THAT EFFECT THE SAME UNIV PENNSYLVANIA (US) 2005-06-15 EP disclosed
US-20050080133-A1 Methods of inhibiting osteoclast activity GREENE MARK I (US) 2005-04-14 US disclosed
US-6673771-B1 ADMINISTERING INHIBITOR OF TUMOR NECROSIS FACTOR RELATED ACTIVATOR INDUCED CYTOKINE/RECEPTOR ACTIVATOR OF NUCLEAR FACTOR KAPPA BETA LIGAND, PEPTIDE HAVING CYCLIC PORTION AND EXOCYCLIC PORTIONS COMPRISING TYROSINE OR PHENYLALANINE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2004-01-06 US disclosed
EP-1207873-A1 METHODS OF INHIBITING OSTEOCLAST ACTIVITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2002-05-29 EP disclosed
EP-1091974-A2 CAVITY INDUCED ALLOSTERIC MODIFICATION OF INTERMOLECULAR INTERACTIONS AND METHODS OF IDENTIFYING COMPOUNDS THAT EFFECT THE SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2001-04-18 EP disclosed
WO-2001008677-A1 METHODS OF INHIBITING OSTEOCLAST ACTIVITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2001-02-08 WO disclosed
WO-2000001349-A2 CAVITY INDUCED ALLOSTERIC MODIFICATION OF INTERMOLECULAR INTERACTIONS AND METHODS OF IDENTIFYING COMPOUNDS THAT EFFECT THE SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-01-13 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 (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-20090306030-A1 Methods Of Inhibiting Osteoclast Activity NFATC1, CD40LG, CD14 TSHR 753/4885CYP1A2 4582/4885KCNN4 4472/4885
US-20050080133-A1 Methods of inhibiting osteoclast activity NFATC1, CD40LG, CD14 TSHR 753/4885CYP1A2 4582/4885KCNN4 4472/4885

“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.