SCHEMBL3048085

SCHEMBL3048085

Cn1cc(C=O)c2c(OCc3ccccc3)cccc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.54
INSR P06213 1/20 0.53
ALDH1A1 P00352 1/20 0.47
IMPDH2 P12268 1/20 0.47
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
LTB4R Q15722 5/20 0.45
LTB4R2 Q9NPC1 5/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ERN1 O75460 1/20 0.43
LIPE Q05469 1/20 0.42
EDNRA P25101 1/20 0.41

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
SCHEMBL15323681 0.84 LTB4R (0.63) ALKINSRALDH1A1LTB4RLTB4R2
SCHEMBL15323678 0.84 LTB4R (0.63) ALKINSRALDH1A1LTB4RLTB4R2
SCHEMBL15325661 0.81 LTB4R (0.53) ALKINSRLTB4RLTB4R2
SCHEMBL2887045 0.79 KDM4E (0.45) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1093358 0.79 ALDH1A1 (0.47) ALDH1A1IMPDH2CCNB2CDK1CDK4
SCHEMBL1093104 0.79 ALDH1A1 (0.51) ALDH1A1IMPDH2MAPTTDP1L3MBTL1
SCHEMBL3043377 0.78 LTB4R (0.46) ALDH1A1CCNB2CDK1CDK4CCNB1
SCHEMBL12344913 0.77 CCNB2 (0.40) ALKINSRALDH1A1CCNB2CDK1
SCHEMBL26097379 0.77 MAPT (0.46) ALKINSRLTB4RLTB4R2MAPT
SCHEMBL24629987 0.77 GAA (0.49) ALKINSRALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820630-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA NV (BE) 2010-10-26 US disclosed
US-20100009900-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES BEAVERS MARY PAT 2010-01-14 US disclosed
EP-1680131-A4 SUBSTITUTED INDOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP disclosed
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES BEAVERS MARY PAT 2009-04-23 US disclosed
US-7511022-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-31 US disclosed
US-20060293251-A1 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-28 US disclosed
US-7129220-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V (BE) 2006-10-31 US disclosed
EP-1680131-A2 SUBSTITUTED INDOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 EP disclosed
US-20050037981-A1 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-17 US disclosed
WO-2005012243-A2 SUBSTITUTED INDOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 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 (4 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-20100009900-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP ALK 4821/4885INSR 9/4885ALDH1A1 2682/4885
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP ALK 4821/4885INSR 9/4885ALDH1A1 2682/4885
US-20050037981-A1 Substituted indole-O-glucosides GPR119, PYGL, IAPP ALK 4821/4885INSR 9/4885ALDH1A1 2682/4885
US-20060293251-A1 Substituted indazole-O-glucosides GPR119, PYGL, GYS2 ALK 4828/4885INSR 5/4885ALDH1A1 2626/4885

“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.