SCHEMBL2567435

SCHEMBL2567435

CCOc1cc(OCC)cc(C(=O)Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
PARP10 Q53GL7 1/20 0.46
PLA2G2A P14555 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.43
PLK1 P53350 1/20 0.43
PTGS2 P35354 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NQO1 P15559 1/20 0.41
PLA2G4B P0C869 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GLRA1 P23415 1/20 0.41
BRD4 O60885 2/20 0.40
BRD2 P25440 2/20 0.40
CREBBP Q92793 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40

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
SCHEMBL5229647 0.88 GPR35 (0.43) KMT2AMEN1PARP10PLA2G2ATSHR
SCHEMBL163967 0.83 SMN1; SMN2 (0.41) KMT2AMEN1PARP10TSHRNPC1
SCHEMBL364241 0.81 HPGD (0.56) KMT2AMEN1NPC1LMNAMAPK1
SCHEMBL2655120 0.81 PLA2G2A (0.65) KMT2AMEN1PARP10PLA2G2ATSHR
SCHEMBL9701615 0.81 KMT2A (0.59) KMT2AMEN1PARP10PLA2G2ATSHR
SCHEMBL5948994 0.80 KMT2A (0.53) KMT2APLA2G2ATSHRNPC1PLK1
SCHEMBL2558599 0.80 GRM5 (0.39) KMT2AMEN1PLA2G2ALMNAGLRA1
SCHEMBL28772985 0.80 PLA2G2A (0.73) PLA2G2ATSHRPLA2G4B
SCHEMBL11053369 0.80 PLA2G2A (0.73) PLA2G2ATSHRPLA2G4B
SCHEMBL31661127 0.80 PLA2G2A (0.73) PLA2G2ATSHRPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045403-B2 Geranyl geranyl acetone (GGA) derivatives and compositions thereof COYOTE PHARMACEUTICALS, INC. (US) 2015-06-02 US disclosed
US-20150025077-A1 GGA AND GGA DERIVATIVES COMPOSITIONS THEREOF AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INCLUDING PARALYSIS INCLUDING THEM COYOTE PHARMACEUTICALS, INC. (US) 2015-01-22 US disclosed
WO-2014163643-A1 GGA AND GGA DERIVATIVES COMPOSITIONS THEREOF AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INCLUDING PARALYSIS INCLUDING THEM COYOTE PHARMACEUTICALS, INC. (US) 2014-10-09 WO disclosed
WO-2014151719-A1 SUBLINGUAL FORMULATIONS INCLUDING GERANYLGERANYLACETONE AND GERANYLGERANYLACETONE DERIVATIVES COYOTE PHARMACEUTICALS, INC. (US) 2014-09-25 WO disclosed
US-20130296323-A1 GGA AND GGA DERIVATIVES COMPOSITIONS THEREOF AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INCLUDING PARALYSIS INCLUDING THEM COYOTE PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
WO-2013130654-A1 GGA AND GGA DERIVATIVES, COMPOSITIONS THEREOF AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INCLUDING PARALYSIS INCLUDING THEM COYOTE PHARMACEUTICALS, INC. (US) 2013-09-06 WO disclosed
EP-2222668-B1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARM INC (US) 2011-11-02 EP disclosed
CN-101945862-A Tetrahydrocyclopenta [ b ] indol-3-yl carboxylic acid derivatives for the treatment of autoimmune and inflammatory disorders ARENA PHARM INC 2011-01-12 CN disclosed
US-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-10-28 US disclosed
EP-2222668-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Arena Pharmaceuticals, Inc. (US) 2010-09-01 EP disclosed
WO-2010088450-A2 METHODS FOR TREATING DISEASES ASSOCIATED WITH THE MODULATION OF SERCA CELLADON CORPORATION (US) 2010-08-05 WO disclosed
WO-2010088450-A2 METHODS FOR TREATING DISEASES ASSOCIATED WITH THE MODULATION OF SERCA CELLADON CORPORATION (US) 2010-08-05 WO disclosed
WO-2009078983-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2009-06-25 WO disclosed
CN-101007802-A Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS INC (US) 2007-08-01 CN disclosed
WO-2006124780-A2 IH-BENZO [D] IMIDAZOLE COMPOUNDS AS INHIBITORS OF B-RAF KINASE KALYPSYS, INC. (US) 2006-11-23 WO disclosed
CN-1638765-A Hedgehog signal transduction pathway mediators, compositions and uses related thereto CURIS INC (US) 2005-07-13 CN 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 (3 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-20130296323-A1 GGA AND GGA DERIVATIVES COMPOSITIONS THEREOF AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INCLUDING PARALYSIS INCLUDING THEM BAX, GAP43, SMN1; SMN2 KMT2A 3588/4885MEN1 4297/4885PARP10 1601/4885
US-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR3, S1PR2 KMT2A 3974/4885MEN1 1568/4885PARP10 2140/4885
US-20150025077-A1 GGA AND GGA DERIVATIVES COMPOSITIONS THEREOF AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INCLUDING PARALYSIS INCLUDING THEM BAX, GAP43, SMN1; SMN2 KMT2A 3588/4885MEN1 4297/4885PARP10 1601/4885

“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.