SCHEMBL1011690

SCHEMBL1011690

CC(=O)c1ccc(CN2CCOCC2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 2/20 0.55
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CNR2 P34972 4/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 2/20 0.48
HPGD P15428 1/20 0.48
CNR1 P21554 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CYP1A1 P04798 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL4262164 0.87 CYP2A13 (0.54) CYP2A13CYP2C9ALOX15HSD17B10CNR2
SCHEMBL27828920 0.86 CYP2A13 (0.52) CYP2A13CYP2C9ALOX15HSD17B10CNR2
SCHEMBL12451266 0.84 CYP2A13 (0.54) CYP2A13CYP2C9ALOX15HSD17B10CNR2
SCHEMBL16380755 0.84 KMT2A (0.54) ALDH1A1KDM4EMAPK1L3MBTL1MAPT
SCHEMBL1012433 0.82 L3MBTL1 (0.60) CYP2C9ALOX15HSD17B10ALDH1A1KDM4E
SCHEMBL11621223 0.82 ALDH1A1 (0.50) CYP2A13CYP2C9ALOX15HSD17B10CNR2
SCHEMBL10207665 0.81 KMT2A (0.58) CNR2ALDH1A1POLBMAPK1CNR1
SCHEMBL12412597 0.81 PDE3B (0.50) CYP2C9ALOX15HSD17B10CNR2ALDH1A1
SCHEMBL1014280 0.81 CYP2A13 (0.47) CYP2A13CYP2C9ALOX15HSD17B10CNR2
Hydrochloric Acid SCHEMBL11625902 0.81 L3MBTL1 (0.51) CYP2A13CYP2C9ALOX15HSD17B10CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-10 US disclosed
US-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-10 US disclosed
US-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-10 US disclosed
EP-2272835-A1 NOVEL FIVE-MEMBERED RING COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-01-12 EP disclosed
WO-2009131171-A1 NOVEL FIVE-MEMBERED RING COMPOUND 大日本住友製薬株式会社 (JP) 2009-10-29 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-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND CCL11, CCR1, CCR10 CYP2A13 929/4885CYP2C9 1254/4885ALOX15 186/4885

“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.