SCHEMBL15614501

SCHEMBL15614501

CC(C)c1cn(C)nc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
RIPK1 Q13546 1/20 0.32

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
SCHEMBL19769049 0.83 ADORA2A (0.45) RAB9AALDH1A1LMNAADORA2AADORA1
SCHEMBL15614502 0.80 CNR2 (0.44) L3MBTL1RAB9AALDH1A1GAALMNA
SCHEMBL27716916 0.79 FABP3 (0.36) FABP3FABP4ALDH1A1GAATSHR
SCHEMBL22057946 0.79 ADORA1 (0.39) FABP3FABP4ALDH1A1GAATSHR
SCHEMBL22057947 0.77 ALDH1A1 (0.44) L3MBTL1RAB9AALDH1A1GAALMNA
SCHEMBL799376 0.76 HSP90AB1 (0.45) L3MBTL1RAB9AGAASMN1; SMN2
SCHEMBL15614503 0.76 ADORA2A (0.50) RAB9AALDH1A1LMNASMN1; SMN2ADORA2A
SCHEMBL22849952 0.75 POLB (0.46) ALDH1A1LMNASMN1; SMN2
SCHEMBL799162 0.74 MAPT (0.44) L3MBTL1RAB9AGAALMNATSHR
SCHEMBL2805806 0.74 L3MBTL1 (0.41) L3MBTL1ALDH1A1GAALMNATSHR

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-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 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-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS CBR3, CYP4X1, CBR1 FABP3 4598/4885FABP4 4658/4885L3MBTL1 2316/4885

“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.