SCHEMBL6883307

SCHEMBL6883307

CCCCCCCCCCCCCn1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.65
CYP1A2 P05177 3/20 0.64
CYP2C19 P33261 3/20 0.64
CYP2C9 P11712 2/20 0.64
KMT2A Q03164 2/20 0.64
GAA P10253 1/20 0.64
MEN1 O00255 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
TK2 O00142 8/20 0.58
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.51
TYMP P19971 1/20 0.51
HPGD P15428 1/20 0.50

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
SCHEMBL6890252 1.00 TK1 (0.65) TK1CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL18226895 1.00 TK1 (0.65) TK1CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL10337895 1.00 TK1 (0.65) TK1CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL13261412 0.98 TK1 (0.62) TK1CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL15110503 0.88 TK2 (0.60) TK1CYP2C9KMT2ATK2MAPT
SCHEMBL4118603 0.86 MAPK1 (0.57) TK1TK2MAPK1TYMPHPGD
SCHEMBL3465151 0.85 TK2 (0.56) TK1CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL3467230 0.85 TK2 (0.56) TK1CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL2497466 0.85 TK2 (0.56) TK1CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL591657 0.83 TK1 (0.56) TK1CYP2C9KMT2ATK2MAPT

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-6800370-B2 SUBSTRATE HAVING PHOTOIONISABLE MOIETIES CAPABLE OF UNDERGOING DIMERIZATION ATTACHED TO A PORTION OF THE SURFACE; IRRADIATION WITH LIGHT OF AN APPROPRIATE WAVELENGTH RESULTS IN DIMERIZATION, THEREBY ALTERING SURFCE WETTABILITY UNIVERSITY OF SOUTH AUSTRALIA (AU) 2004-10-05 US disclosed
US-20020084179-A1 Substrate having photoionisable moieties capable of undergoing dimerization attached to a portion of the surface; irradiation with light of an appropriate wavelength results in dimerization, thereby altering surfce wettability UNIVERSITY OF SOUTH AUSTRALIA (AU) 2002-07-04 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-20020084179-A1 Substrate having photoionisable moieties capable of undergoing dimerization attached to a portion of the surface; irradiation with light of an appropriate wavelength results in dimerization, thereby altering surfce wettability SPR, SURF4, CLTA TK1 2316/4885CYP1A2 901/4885CYP2C19 1286/4885

“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.