SCHEMBL10130641

SCHEMBL10130641

CC(C)CC#Cc1cnc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
ACACB O00763 1/20 0.50
CYP1A2 P05177 1/20 0.45
PDGFRB P09619 3/20 0.41
PDGFRA P16234 3/20 0.41
HTR2A P28223 1/20 0.39
TLR8 Q9NR97 2/20 0.38
PIK3CA P42336 3/20 0.37
MTOR P42345 2/20 0.37
MGAM O43451 1/20 0.37
PIK3CD O00329 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL14453818 0.84 ALDH1A1 (0.64) ALDH1A1ACACBCYP1A2PDGFRBPDGFRA
SCHEMBL10162702 0.83 ALDH1A1 (0.71) ALDH1A1ACACBCYP1A2PDGFRBPDGFRA
SCHEMBL23781564 0.80 ALDH1A1 (0.71) ALDH1A1ACACBCYP1A2PDGFRBPDGFRA
SCHEMBL372200 0.80 ALDH1A1 (1.00) ALDH1A1ACACBCYP1A2PDGFRBPDGFRA
SCHEMBL12603967 0.78 ALDH1A1 (0.64) ALDH1A1ACACBCYP1A2TLR8
SCHEMBL547195 0.78 ALDH1A1 (0.59) ALDH1A1ACACBCYP1A2PDGFRBPDGFRA
SCHEMBL27614825 0.78 ALDH1A1 (0.59) ALDH1A1ACACBCYP1A2PDGFRBPDGFRA
SCHEMBL7214768 0.77 ALDH1A1 (0.63) ALDH1A1ACACBCYP1A2PDGFRBPDGFRA
SCHEMBL8907669 0.77 ALDH1A1 (0.77) ALDH1A1ACACBCYP1A2PDGFRBPDGFRA
SCHEMBL14294117 0.77 ALDH1A1 (0.62) ALDH1A1ACACBCYP1A2PDGFRBPDGFRA

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 23 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-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-8063021-B2 Ketolide anti-infective compounds KOSAN BIOSCIENCES INCORPORATED (US) 2011-11-22 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-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
WO-2008061189-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2008-05-22 WO disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 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
WO-2007115278-A2 3,6,11-TRICYCLOLIDE ENANTA PHARMACEUTICALS, INC. (US) 2007-10-11 WO 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-7247617-B2 Sixteen-member macrolide antiinfective agents KOSAN BIOSCIENCES INCORPORATED (US) 2007-07-24 US disclosed
US-7247617-B2 Sixteen-member macrolide antiinfective agents KOSAN BIOSCIENCES INCORPORATED (US) 2007-07-24 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-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 ALDH1A1 452/4885ACACB 428/4885CYP1A2 104/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ALDH1A1 452/4885ACACB 428/4885CYP1A2 104/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ALDH1A1 452/4885ACACB 428/4885CYP1A2 104/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 ALDH1A1 732/4885ACACB 771/4885CYP1A2 117/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 ALDH1A1 1193/4885ACACB 1127/4885CYP1A2 59/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 ALDH1A1 353/4885ACACB 1676/4885CYP1A2 38/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ALDH1A1 452/4885ACACB 428/4885CYP1A2 104/4885

“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.