SCHEMBL6000823

SCHEMBL6000823

CCN(CC)c1ccc2c(c1)C1(OC2=O)c2ccccc2Oc2ccc(Nc3cccc(C(F)(F)F)c3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
ADORA2A P29274 1/20 0.37
CYP3A4 P08684 1/20 0.37
TP53 P04637 1/20 0.36
DHODH Q02127 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
STK10 O94804 2/20 0.35
SLK Q9H2G2 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL30008694 0.92 CYP3A4 (0.45) KIF11AKR1C3AKR1C2ADORA2ACYP3A4
SCHEMBL6407625 0.92 CYP3A4 (0.45) KIF11AKR1C3AKR1C2ADORA2ACYP3A4
SCHEMBL9796143 0.84 CYP3A4 (0.49) CYP3A4MEN1MAPTHTTKMT2A
SCHEMBL21917238 0.83 CYP3A4 (0.42) KIF11AKR1C3AKR1C2ADORA2ACYP3A4
SCHEMBL4233627 0.82 CYP3A4 (0.51) CYP3A4MEN1MAPTHTTKMT2A
SCHEMBL6406462 0.82 CYP3A4 (0.50) CYP3A4MEN1MAPTHTTKMT2A
SCHEMBL11840569 0.80 FTO (0.41) CYP3A4MEN1MAPTHTTKMT2A
SCHEMBL15304788 0.80 MEN1 (0.37) KIF11ADORA2ACYP3A4TP53DHODH
SCHEMBL13993800 0.78 CYP3A4 (0.45) CYP3A4MEN1MAPTHTTKMT2A
SCHEMBL12311116 0.78 CYP3A4 (0.48) CYP3A4MEN1MAPTHTTKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964468-A1 THERMOSENSITIVE RECORDING MATERIAL Ricoh Company, Ltd. (JP) 2016-01-13 EP disclosed
WO-2014136988-A1 THERMOSENSITIVE RECORDING MATERIAL RICOH COMPANY, LTD. (JP) 2014-09-12 WO disclosed
EP-1871844-B1 BUBBLE COMPOSITION WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2014-08-27 EP disclosed
US-20060236470-A1 Novelty compositions with color changing indicator CRAYOLA LLC 2006-10-26 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-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH KIF11 4633/4885AKR1C3 4662/4885AKR1C2 4688/4885

“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.