SCHEMBL10130693

SCHEMBL10130693

CC(C)CCn1cnc2cncnc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.55
LTA4H P09960 1/20 0.47
RPS6KA3 P51812 1/20 0.45
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 7/20 0.38
TSHR P16473 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
HSD17B10 Q99714 3/20 0.37
ADRA1A P35348 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP1A2 P05177 4/20 0.36
MAPK1 P28482 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36

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
SCHEMBL10694872 0.84 FDPS (0.58) FDPSLTA4HRPS6KA3RAB9AKMT2A
SCHEMBL13044680 0.83 FDPS (0.61) FDPSLTA4HRAB9AKMT2AHDAC1
SCHEMBL31024294 0.81 FDPS (0.51) FDPSLTA4HHDAC1HDAC6ALDH1A1
SCHEMBL10163117 0.81 FDPS (0.51) FDPSLTA4HHDAC1HDAC6ALDH1A1
SCHEMBL364678 0.81 FDPS (0.56) FDPSLTA4HRPS6KA3KMT2AHDAC1
SCHEMBL1742012 0.81 FDPS (0.49) FDPSLTA4HRPS6KA3HDAC1HDAC6
SCHEMBL6950642 0.79 ADORA2A (0.53) FDPSLTA4HRAB9AKMT2AHDAC1
SCHEMBL4020843 0.78 FDPS (0.51) FDPSLTA4HKMT2AHDAC1HDAC6
SCHEMBL3671306 0.78 FDPS (0.51) FDPSLTA4HKMT2AHDAC1HDAC6
SCHEMBL5017277 0.78 FDPS (0.51) FDPSLTA4HKMT2AHDAC1HDAC6

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 17 patents. 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-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-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
CN-101269048-A Lovastatin sustained-release dropping pill and preparation method thereof CHIA TAI GREEN CONTINENT PHARM (CN) 2008-09-24 CN disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 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-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-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 (7 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 FDPS 144/4885LTA4H 414/4885RPS6KA3 1368/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 FDPS 144/4885LTA4H 414/4885RPS6KA3 1368/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 FDPS 144/4885LTA4H 414/4885RPS6KA3 1368/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 FDPS 113/4885LTA4H 415/4885RPS6KA3 1854/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 FDPS 21/4885LTA4H 527/4885RPS6KA3 2046/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 FDPS 46/4885LTA4H 522/4885RPS6KA3 3653/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 FDPS 144/4885LTA4H 414/4885RPS6KA3 1368/4885

“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.