SCHEMBL9438201

SCHEMBL9438201

CCCCCCCCCCCCC(CCCCCCCCCC)COCCCN

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.73
HTT P42858 1/20 0.50
TLR2 O60603 4/20 0.45
DNM1 Q05193 8/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
EPHX1 P07099 1/20 0.44
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL9438364 1.00 CYP3A4 (0.73) CYP3A4HTTTLR2DNM1MEN1
SCHEMBL5161822 1.00 CYP3A4 (0.73) CYP3A4HTTTLR2DNM1MEN1
SCHEMBL8394379 1.00 CYP3A4 (0.73) CYP3A4HTTTLR2DNM1MEN1
SCHEMBL4734129 0.98 CYP3A4 (0.77) CYP3A4HTTTLR2DNM1MEN1
SCHEMBL15732744 0.96 CYP3A4 (0.69) CYP3A4HTTTLR2DNM1MEN1
SCHEMBL15738975 0.96 CYP3A4 (0.69) CYP3A4HTTTLR2DNM1MEN1
SCHEMBL28943055 0.94 CYP3A4 (0.71) CYP3A4HTTTLR2DNM1MEN1
SCHEMBL28840278 0.93 CYP3A4 (0.86) CYP3A4HTTTLR2DNM1MEN1
SCHEMBL15732821 0.93 CYP3A4 (0.86) CYP3A4HTTTLR2DNM1MEN1
SCHEMBL5475375 0.88 CYP3A4 (0.55) CYP3A4HTTMEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442242-B2 Phase change inks containing specific colorants XEROX CORPORATION (US) 2008-10-28 US disclosed
US-7381255-B2 Phase change inks XEROX CORPORATION (US) 2008-06-03 US disclosed
US-7294730-B2 Colorant compounds XEROX CORPORATION (US) 2007-11-13 US disclosed
US-20070123701-A1 Colorant compounds XEROX CORPORATION 2007-05-31 US disclosed
US-20070120918-A1 Phase change inks XEROX CORPORATION 2007-05-31 US disclosed
US-20070120915-A1 Phase change inks containing specific colorants XEROX CORPORATION 2007-05-31 US disclosed
US-5298038-A Cleaning coke from injection nozzle KAO CORPORATION (JP) 1994-03-29 US disclosed
EP-0353713-B1 Use of an additive for fuel KAO CORP (JP) 1994-03-16 EP disclosed
EP-0353713-A1 Use of an additive for fuel Kao Corporation (JP) 1990-02-07 EP 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-20070123701-A1 Colorant compounds RB1, CCNE2, NQO1 CYP3A4 435/4885HTT 2687/4885TLR2 3922/4885

“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.