SCHEMBL5924439

SCHEMBL5924439

CCC1C(=O)NC(CC)(c2ccccc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ LMNA P02545 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FPR2 P25090 1/20 0.36
▸ ADAM17 P78536 1/20 0.36

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
SCHEMBL5924241 0.79 ALDH1A1 (0.42) CYP2C19TSHRLMNATDP1MEN1
SCHEMBL2191989 0.73 ADAM17 (0.62) CYP2C19TSHRLMNAADAM17
SCHEMBL3400918 0.73 ADAM17 (0.62) CYP2C19TSHRLMNAADAM17
SCHEMBL4123231 0.73 ADAM17 (0.62) CYP2C19TSHRLMNAADAM17
Mephenytoin SCHEMBL21766 0.67 CYP2C19 (1.00) CYP2C19TSHRLMNATDP1MEN1
SCHEMBL11255982 0.67 CYP2C19 (0.53) CYP2C19TSHRLMNATDP1MEN1
Mephenytoin SCHEMBL21768 0.67 CYP2C19 (1.00) CYP2C19TSHRLMNATDP1MEN1
Mephenytoin SCHEMBL4778454 0.67 CYP2C19 (0.91) CYP2C19TSHRLMNATDP1MEN1
SCHEMBL7243423 0.65 CYP2C19 (0.50) CYP2C19TSHRLMNATDP1MEN1
SCHEMBL8109132 0.64 CYP2C19 (0.45) CYP2C19TSHRLMNATDP1MEN1

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-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof BROWN TRUMAN R 2006-04-27 — — US disclosed
US-5534540-A CROSSLINKING AND DISCOLORATION INHIBITION; PRESERVING FOODS; AGING RESISTANCE ALTEON INC. (US) 1996-07-09 — — 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-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof ALDOA, FBP1, GYS2 CYP2C19 2548/4885TSHR 4770/4885LMNA 1961/4885

“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.

Send feedback