SCHEMBL1012433

SCHEMBL1012433

COc1cc(C(C)=O)ccc1CN1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
RECQL P46063 1/20 0.53
KCNJ1 P48048 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 2/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 4/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2D6 P10635 1/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL221039 0.90 KCNJ1 (0.54) ALDH1A1MAPTKDM4ELMNARECQL
SCHEMBL334535 0.90 L3MBTL1 (0.74) L3MBTL1ALDH1A1MAPTKDM4ELMNA
SCHEMBL4263319 0.88 CYP2D6 (0.52) ALDH1A1MAPTKDM4ELMNARECQL
Hydrochloric Acid SCHEMBL4902833 0.88 KCNJ1 (0.53) L3MBTL1ALDH1A1MAPTKDM4ELMNA
SCHEMBL221971 0.88 SMN1; SMN2 (0.56) ALDH1A1MAPTKDM4ELMNARECQL
SCHEMBL2624464 0.88 L3MBTL1 (0.76) L3MBTL1ALDH1A1MAPTKDM4ELMNA
SCHEMBL1014530 0.84 MAPT (0.51) ALDH1A1MAPTKDM4ELMNARECQL
SCHEMBL1011690 0.82 CYP2A13 (0.55) L3MBTL1ALDH1A1MAPTKDM4EMAPK1
SCHEMBL7354686 0.81 MAPT (0.46) ALDH1A1MAPTKDM4ELMNARECQL
SCHEMBL12451266 0.81 CYP2A13 (0.54) L3MBTL1ALDH1A1MAPTKDM4EMAPK1

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 L3MBTL1 2445/4885ALDH1A1 2564/4885MAPT 4799/4885

“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.