SCHEMBL18158026

SCHEMBL18158026

CC(C)(C)C(=O)Nc1cccc(CC(NCCC(=O)O)c2cccc(NC(=O)C(C)(C)C)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.36
PTGER2 P43116 2/20 0.33
PI4KB Q9UBF8 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
POLB P06746 2/20 0.32
PDE5A O76074 1/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK8 P45983 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL18157995 0.89 ADORA1 (0.37) ADORA1PTGER2CYP1A2CYP3A4CYP2C9
SCHEMBL18160873 0.78 ADORA1 (0.40) ADORA1PTGER2PI4KBCYP1A2CYP3A4
SCHEMBL18157986 0.76 PTGER2 (0.38) PTGER2
SCHEMBL18158005 0.75 XIAP (0.36) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10691212 0.75 SMN1; SMN2 (0.41) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL18158024 0.74 KDM4E (0.38) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL317651 0.73 ADORA1 (0.43) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21211527 0.73 ADORA1 (0.43) ADORA1PTGER2CYP1A2CYP3A4CYP2C9
SCHEMBL18160872 0.73 ADORA1 (0.42) ADORA1PTGER2CYP1A2CYP3A4CYP2C9
SCHEMBL964808 0.72 SMN1; SMN2 (0.43) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19

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-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed
US-20160304730-A1 NEAR INFRARED RADIATION-ABSORBING COMPOSITION, NEAR INFRARED RADIATION CUT-OFF FILTER AND PRODUCTION METHOD THEREFOR, AND CAMERA MODULE AND PRODUCTION METHOD THEREFOR FUJIFILM CORPORATION (JP) 2016-10-20 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-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE C9, SET, CRY1 ADORA1 3605/4885PTGER2 3859/4885PI4KB 4565/4885

“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.