SCHEMBL1140643

SCHEMBL1140643

CCCOc1cc2c(cc1C(C)=CC#N)C(C)(C)CCC2(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.56
RXRB P28702 5/20 0.56
RXRG P48443 5/20 0.56
RARA P10276 4/20 0.56
RARB P10826 4/20 0.56
RARG P13631 4/20 0.56
HNF4A P41235 6/20 0.40
PPARG P37231 1/20 0.35
NR1H3 Q13133 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34

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
SCHEMBL1140687 1.00 RXRA (0.56) RXRARXRBRXRGRARARARB
Nitrous Acid SCHEMBL1140924 0.94 RXRA (0.54) RXRARXRBRXRGRARARARB
SCHEMBL6913861 0.93 RXRA (0.49) RXRARXRBRXRGRARARARB
SCHEMBL6913864 0.93 RXRA (0.49) RXRARXRBRXRGRARARARB
SCHEMBL6917516 0.91 RXRA (0.48) RXRARXRBRXRGRARARARB
SCHEMBL6917514 0.91 RXRA (0.48) RXRARXRBRXRGRARARARB
SCHEMBL6917805 0.91 RXRA (0.48) RXRARXRBRXRGRARARARB
SCHEMBL6917806 0.91 RXRA (0.48) RXRARXRBRXRGRARARARB
SCHEMBL6915730 0.90 RXRA (0.55) RXRARXRBRXRGRARARARB
SCHEMBL6915727 0.90 RXRA (0.55) RXRARXRBRXRGRARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485464-A4 METHODS OF INDUCING DIFFERENTIATION IN EX VIVO EXPANDED STEM CELLS GAMIDA CELL LTD (IL) 2006-11-29 EP claimed
US-20050220774-A1 Methods of inducing differentiation in ex vivo expanded stem cells GAMIDA CELL LTD. (IL) 2005-10-06 US claimed
EP-1534820-A2 EX-VIVO EXPANSION OF HEMATOPOIETIC STEM CELL POPULATIONS IN MONONUCLEAR CELL CULTURES Gamida Cell Ltd. (IL) 2005-06-01 EP claimed
US-20050008624-A1 Expansion of renewable stem cell populations GAMIDA CELL LTD. 2005-01-13 US claimed
EP-1485464-A2 METHODS OF INDUCING DIFFERENTIATION IN EX VIVO EXPANDED STEM CELLS Gamida Cell Ltd. (IL) 2004-12-15 EP claimed
WO-2004016731-A2 EX-VIVO EXPANSION OF HEMATOPOIETIC STEM CELL POPULATIONS IN MONONUCLEAR CELL CULTURES GAMIDA-CELL LTD. (IL) 2004-02-26 WO claimed
WO-2003078567-A2 METHODS OF INDUCING DIFFERENTIATION IN EX VIVO EXPANDED STEM CELLS GAMIDA-CELL LTD. (IL) 2003-09-25 WO claimed
US-20180320139-A1 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA CELL INC. 2018-11-08 US disclosed
US-20160097037-A1 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA CELL LTD. 2016-04-07 US disclosed
EP-2206773-B1 Expansion of renewable stem cell populations GAMIDA CELL LTD (IL) 2012-07-11 EP disclosed
US-7955852-B2 Expansion of renewable stem cell populations GAMIDA CELL LTD. (IL) 2011-06-07 US disclosed
EP-2305794-A1 Expansion of renewable stem cell populations Gamida Cell Ltd. (IL) 2011-04-06 EP disclosed
US-20110033427-A1 Expansion Of Renewable Stem Cell Populations GAMIDA CELL LTD. (IL) 2011-02-10 US disclosed
US-20040019072-A1 Dimer-selective RXR modulators and methods for their use CANAN-KOCH STACIE (US) 2004-01-29 US disclosed
WO-2003078567-A2 METHODS OF INDUCING DIFFERENTIATION IN EX VIVO EXPANDED STEM CELLS GAMIDA-CELL LTD. (IL) 2003-09-25 WO disclosed
EP-1336600-A2 Dimer-selective RXR modulators and methods for their use LIGAND PHARMACEUTICALS INCORPORATED (US) 2003-08-20 EP disclosed
WO-2003062369-A2 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA-CELL LTD. (IL) 2003-07-31 WO 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
EP-0873295-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS, INC. (US) 1998-10-28 EP disclosed
WO-1997012853-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-04-10 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 (1 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-20040019072-A1 Dimer-selective RXR modulators and methods for their use RXRG, RXRB, RXRA RXRA 3/4885RXRB 2/4885RXRG 1/4885

“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.