SCHEMBL278545

SCHEMBL278545

CC(C)COc1ccc(Cl)cc1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.54
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PTGER1 P34995 9/20 0.44
SCN4A P35499 2/20 0.41
RXRA P19793 1/20 0.41
TBXA2R P21731 1/20 0.40
PPARG P37231 1/20 0.40
PTGER3 P43115 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
GCGR P47871 1/20 0.39
MAPK14 Q16539 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38

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
SCHEMBL11890402 0.85 GAA (0.52) GAAALDH1A1MAPTGABRA1GABRB1
SCHEMBL9967704 0.81 KDM1A (0.56) KDM1AGAAALDH1A1MAPT
SCHEMBL12356963 0.81 MAPT (0.48) GAAALDH1A1MAPTGCGR
SCHEMBL17034855 0.81 GAA (0.40) KDM1AGAAALDH1A1PTGER1MAPT
SCHEMBL325648 0.80 SCN4A (0.60) KDM1AGAAALDH1A1PTGER1SCN4A
SCHEMBL11334122 0.79 HPGD (0.43) GAAALDH1A1MAPTTHRBGABRA1
SCHEMBL13347438 0.79 KDM1A (0.54) KDM1AGAAALDH1A1PTGER1MAPT
SCHEMBL3727775 0.79 KDM1A (0.54) KDM1AGAAALDH1A1PTGER1SCN4A
SCHEMBL358044 0.79 KDM1A (0.57) KDM1AGAAALDH1A1PTGER1SCN4A
SCHEMBL13676822 0.79 KDM1A (0.54) KDM1AGAAALDH1A1PTGER1PPARG

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-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 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-20100137310-A1 RENIN INHIBITORS REN, ACE, PRSS3 KDM1A 2916/4885GAA 160/4885ALDH1A1 1131/4885

“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.