SCHEMBL6464978

SCHEMBL6464978

CCc1cc(C)cc(CC)n1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.70
NOS3 P29474 6/20 0.70
NOS1 P29475 7/20 0.46
ESR1 P03372 1/20 0.35

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
SCHEMBL20072591 0.88 NOS2 (0.57) NOS2NOS3NOS1
SCHEMBL7116565 0.87 NOS2 (0.61) NOS2NOS3NOS1
SCHEMBL12250784 0.84 NOS2 (0.63) NOS2NOS3NOS1ESR1
SCHEMBL23280308 0.83 NOS2 (0.57) NOS2NOS3NOS1
SCHEMBL13827864 0.83 NOS2 (0.57) NOS2NOS3NOS1ESR1
SCHEMBL18611531 0.83 NOS2 (0.57) NOS2NOS3NOS1
SCHEMBL7049604 0.83 NOS2 (1.00) NOS2NOS3NOS1
SCHEMBL9130357 0.83 NOS2 (0.57) NOS2NOS3NOS1ESR1
SCHEMBL12250803 0.79 NOS2 (0.53) NOS2NOS3NOS1
SCHEMBL12574412 0.79 NOS2 (0.53) NOS2NOS3NOS1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021064332-A1 ANTI-CD30-DRUG CONJUGATES AND THEIR USE IN THERAPY MC SAF (FR) 2021-04-08 WO disclosed
WO-2020234541-A1 ANTIBODY-DRUG CONJUGATES AND THEIR USE IN THERAPY MC SAF (FR) 2020-11-26 WO disclosed
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
US-20120104941-A1 COMPOUND FOR AN ORGANIC PHOTOELECTRIC DEVICE AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME CHEIL INDUSTRIES, INC. (KR) 2012-05-03 US disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2195311-B1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-23 EP disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 US disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 US disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 WO disclosed
US-20100022664-A1 Process for the partial hydrogenation of fatty acid esters COGNIS IP MANAGEMENT GMBH (DE) 2010-01-28 US disclosed
WO-2009024905-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 WO disclosed
US-20050075241-A1 Catalyst systems of the ziegler-natta type and a method for production thereof FOTTINGER KLAUS (DE) 2005-04-07 US disclosed
EP-1445260-A1 Method of immobilising of chemical compounds to solid phases Jerini AG (DE) 2004-08-11 EP disclosed
EP-1326899-A2 CATALYTIC SYSTEMS OF THE ZIEGLER-NATTA TYPE AND METHOD FOR PRODUCTION THEREOF Basell Polyolefine GmbH (DE) 2003-07-16 EP disclosed
WO-2002032969-A2 CATALYTIC SYSTEMS OF THE ZIEGLER-NATTA TYPE AND METHOD FOR PRODUCTION THEREOF BASELL POLYOLEFINE GMBH (DE) 2002-04-25 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 (5 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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NOS2 3198/4885NOS3 2330/4885NOS1 2809/4885
US-20100022664-A1 Process for the partial hydrogenation of fatty acid esters ELOVL3, LIPA, FFAR2 NOS2 667/4885NOS3 1262/4885NOS1 1656/4885
US-20120104941-A1 COMPOUND FOR AN ORGANIC PHOTOELECTRIC DEVICE AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME PPOX, TYR, VDAC3 NOS2 2259/4885NOS3 1376/4885NOS1 2366/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NOS2 3198/4885NOS3 2330/4885NOS1 2809/4885
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 NOS2 2411/4885NOS3 2145/4885NOS1 1194/4885

“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.