SCHEMBL10130675

SCHEMBL10130675

CC(C)Cc1cc(-c2ccccc2)no1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.62
NPC1 O15118 9/20 0.55
RAB9A P51151 9/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.52
CYP11B1 P15538 4/20 0.51
CYP11B2 P19099 3/20 0.51
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL10130590 0.83 CYP2C9 (0.67) NOTUMNPC1RAB9ASMN1; SMN2CYP11B1
SCHEMBL805128 0.80 NOTUM (0.68) NOTUMNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL15142095 0.79 CA12 (0.46) NOTUMNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL15695539 0.79 NPC1 (0.50) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4120542 0.77 NOTUM (0.64) NOTUMNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL1233709 0.77 NOTUM (0.64) NOTUMNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL24459722 0.77 NOTUM (0.68) NOTUMNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL2123479 0.77 NOTUM (1.00) NOTUMNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL1313626 0.77 NOTUM (1.00) NOTUMNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL4981360 0.77 NOTUM (0.68) NOTUMNPC1RAB9ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20130197043-A1 USE OF THE FETAL REPROGRAMMING OF A PPAR AGONIST SNU R&DB FOUNDATION (KR) 2013-08-01 US disclosed
US-20120225886-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-09-06 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (8 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 NOTUM 512/4885NPC1 387/4885RAB9A 2564/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NOTUM 512/4885NPC1 387/4885RAB9A 2564/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NOTUM 512/4885NPC1 387/4885RAB9A 2564/4885
US-20130197043-A1 USE OF THE FETAL REPROGRAMMING OF A PPAR AGONIST PPARD, PPARA, PPARG NOTUM 3932/4885NPC1 3709/4885RAB9A 2695/4885
US-20120225886-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 NOTUM 2760/4885NPC1 1934/4885RAB9A 1162/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 NOTUM 595/4885NPC1 53/4885RAB9A 1907/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 NOTUM 1113/4885NPC1 735/4885RAB9A 730/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NOTUM 512/4885NPC1 387/4885RAB9A 2564/4885

“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.