SCHEMBL10197996

SCHEMBL10197996

CCOC(=O)c1ccc2c(c1)c(CP(C)(C)=O)cn2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
HCRTR1 O43613 2/20 0.42
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 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
SCHEMBL8290029 0.88 ALDH1A1 (0.42) ALDH1A1MAPTRAB9APPARGNCOA2
SCHEMBL3349501 0.81 ALDH1A1 (0.44) ALDH1A1MAPTRAB9APPARGNCOA2
SCHEMBL14845104 0.76 CA12 (0.52) ALDH1A1MAPTRAB9APPARGNCOA2
SCHEMBL69334 0.74 CA12 (0.56) ALDH1A1MAPTRAB9APPARGNCOA2
SCHEMBL14845095 0.74 ALDH1A1 (0.58) ALDH1A1MAPTRAB9APPARGNCOA2
SCHEMBL10197984 0.73 SNCA (0.43) RAB9AKDM4EMEN1KMT2APOLB
SCHEMBL25811417 0.70 MAPT (0.57) ALDH1A1MAPTCA12CA1CA2
SCHEMBL20605004 0.69 LMNA (0.57) ALDH1A1MAPTRAB9APPARGNCOA2
SCHEMBL14869429 0.69 CA12 (0.47) ALDH1A1MAPTRAB9APPARGNCOA2
SCHEMBL10198001 0.69 HASPIN (0.41) ALDH1A1KDM4EMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 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 (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-20120022022-A1 NOVEL INHIBITORS OF CHYMASE CMA1, SERPINB1, TPSAB1 ALDH1A1 1606/4885MAPT 2654/4885RAB9A 2192/4885

“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.