SCHEMBL1013432

SCHEMBL1013432

CC(=O)c1ccc(C(C)N2CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CYP1A1 P04798 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 3/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LTA4H P09960 1/20 0.45
KDM4E B2RXH2 2/20 0.45
LRRK2 Q5S007 1/20 0.45
OPRD1 P41143 1/20 0.44
PTGS2 P35354 1/20 0.44
HIF1A Q16665 1/20 0.43
APAF1 O14727 1/20 0.43
GAA P10253 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL13267282 0.87 TSHR (0.54) ALDH1A1CYP3A4TSHRCYP2C19MAPT
SCHEMBL263757 0.86 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRCYP2C19MAPT
SCHEMBL29085396 0.85 OPRD1 (0.48) ALDH1A1CYP3A4MAPTLMNAOPRD1
SCHEMBL300622 0.84 LTA4H (0.45) ALDH1A1CYP3A4TSHRCYP2C19LMNA
SCHEMBL25168575 0.83 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRCYP2C19MAPT
SCHEMBL13267271 0.83 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRCYP2C19MAPT
SCHEMBL13380743 0.79 OPRD1 (0.65) ALDH1A1OPRD1
SCHEMBL12858565 0.79 LMNA (0.44) ALDH1A1CYP3A4TSHRCYP2C19MAPT
SCHEMBL13380751 0.78 ATM (0.51) ALDH1A1MAPTATMLMNAKDM4E
SCHEMBL1927517 0.76 LTA4H (0.49) ALDH1A1CYP1A1CYP3A4TSHRCYP2C19

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 ALDH1A1 2564/4885CYP1A1 718/4885CYP3A4 890/4885

“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.