SCHEMBL14893142

SCHEMBL14893142

CCCCCCCCCOc1ccc2[nH]ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.40
PDE5A O76074 2/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CYP19A1 P11511 1/20 0.37
MCHR1 Q99705 1/20 0.37
SOAT1 P35610 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
HTR1A P08908 5/20 0.36
HTR1D P28221 5/20 0.36
HTR1B P28222 5/20 0.36
KDM4E B2RXH2 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
SCHEMBL9375291 0.94 CYP1A2 (0.42) TLR8PDE5ACYP3A4CYP2D6CYP1A2
SCHEMBL9376060 0.89 MAPT (0.42) TLR8PDE5ACYP3A4CYP2D6CYP1A2
SCHEMBL9375957 0.82 S1PR1 (0.36) KDM4ETP53MAPT
SCHEMBL19239931 0.80 TLR8 (0.47) TLR8CYP3A4CYP2D6MCHR1SOAT1
SCHEMBL8719437 0.76 TLR8 (0.44) TLR8CYP3A4CYP2D6MCHR1SOAT1
SCHEMBL7882820 0.76 TLR8 (0.44) TLR8CYP3A4CYP2D6MCHR1SOAT1
SCHEMBL8722735 0.76 TLR8 (0.44) TLR8CYP3A4CYP2D6MCHR1SOAT1
SCHEMBL8722611 0.76 TLR8 (0.44) TLR8CYP3A4CYP2D6MCHR1SOAT1
SCHEMBL8720128 0.76 TLR8 (0.44) TLR8CYP3A4CYP2D6MCHR1SOAT1
SCHEMBL8722630 0.76 TLR8 (0.44) TLR8CYP3A4CYP2D6MCHR1SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150306077-A1 Novel Compositions and Methods for Treating Cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-10-29 US disclosed
US-9073851-B2 Compositions and methods for treating cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-07-07 US disclosed
EP-2771341-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER Board Of Regents, The University Of Texas System (US) 2014-09-03 EP disclosed
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-23 US disclosed
WO-2013063492-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-02 WO 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 (2 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-20150306077-A1 Novel Compositions and Methods for Treating Cancer HDGF, HCCS, CCNC TLR8 2529/4885PDE5A 647/4885CYP3A4 4861/4885
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER HDGF, HCCS, CCNC TLR8 2529/4885PDE5A 647/4885CYP3A4 4861/4885

“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.