SCHEMBL2331355

SCHEMBL2331355

FC(F)(F)c1ccc2ccc3ccc(C(F)(F)F)nc3c2n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.41
CCR1 P32246 4/20 0.38
RAB9A P51151 1/20 0.38
CCR5 P51681 1/20 0.38
PDE4B Q07343 4/20 0.35
P2RX7 Q99572 1/20 0.34
NOTUM Q6P988 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
PTGS2 P35354 1/20 0.33
CXCR4 P61073 1/20 0.33
ADRB1 P08588 1/20 0.32
IDH1 O75874 1/20 0.32
IDH2 P48735 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL12446470 0.89 TRPV4 (0.34) TRPV4CCR1RAB9ACCR5PDE4B
SCHEMBL16502268 0.87 CCR1 (0.62) CCR1RAB9ACCR5PDE4BSLC40A1
SCHEMBL29829527 0.83 LMNA (0.61) CCR1CCR5SLC40A1KDM4EHSP90AA1
SCHEMBL29352384 0.82 LMNA (0.59) CCR1CCR5SLC40A1KDM4EHSP90AA1
SCHEMBL30690939 0.82 LMNA (0.59) CCR1CCR5SLC40A1KDM4EHSP90AA1
SCHEMBL3462719 0.80 AURKA (0.41) SLC40A1KDM4EPTGS2IDH1IDH2
SCHEMBL4968648 0.80 PRKD3 (0.41) RAB9AP2RX7NOTUMSLC40A1KDM4E
SCHEMBL7253959 0.79 METAP2 (0.53) RAB9AKDM4EHSP90AA1HSD17B10
SCHEMBL8325687 0.79 ELANE (0.41) SLC40A1PTGS2IDH1IDH2
SCHEMBL30586451 0.79 MAP4K4 (0.42) RAB9ASLC40A1KDM4EPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080206890-A1 BIS(2,9-DI-TERT-BUTYL-1,10-PHENANTHROLINE)COPPER(I) COMPLEXES, METHODS OF SYNTHESIS, AND USES THEROF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-08-28 US claimed
US-20110309304-A1 LUMINESCENT SILVER COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110309304-A1 LUMINESCENT SILVER COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110309304-A1 LUMINESCENT SILVER COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-22 US disclosed
WO-2011152358-A1 MEMBRANE CONTAINING SILVER COMPLEX 住友化学株式会社 (JP) 2011-12-08 WO disclosed
EP-2360162-A1 LUMINESCENT SILVER COMPLEXES Sumitomo Chemical Company, Limited (JP) 2011-08-24 EP disclosed
US-20080206890-A1 BIS(2,9-DI-TERT-BUTYL-1,10-PHENANTHROLINE)COPPER(I) COMPLEXES, METHODS OF SYNTHESIS, AND USES THEROF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-08-28 US disclosed
US-6391648-B1 ASSOCIATIONS FOR USE AS OPTICAL OXYGEN DETECTORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-05-21 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 (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-20080206890-A1 BIS(2,9-DI-TERT-BUTYL-1,10-PHENANTHROLINE)COPPER(I) COMPLEXES, METHODS OF SYNTHESIS, AND USES THEROF TTI1, TTI2, TCOF1 TRPV4 2526/4885CCR1 2095/4885RAB9A 1064/4885
US-20110309304-A1 LUMINESCENT SILVER COMPLEX SOD1, AS3MT, GLO1 TRPV4 1193/4885CCR1 4833/4885RAB9A 2671/4885

“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.