SCHEMBL3582623

SCHEMBL3582623

OC(CCc1ccc(F)cc1F)CCc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
DAO P14920 1/20 0.42
HTR2A P28223 8/20 0.41
HTR2C P28335 7/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 1/20 0.41
KCNH2 Q12809 3/20 0.40
TYR P14679 2/20 0.38
DRD2 P14416 1/20 0.38
GSK3B P49841 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL18431166 0.89 IDO1 (0.44) IDO1AGXTDAOHTR2AHTR2C
SCHEMBL10586299 0.85 TYR (0.56) IDO1AGXTDAOHTR2AHTR2C
SCHEMBL8594177 0.80 HTR2A (0.42) IDO1AGXTDAOHTR2AHTR2C
SCHEMBL7700904 0.80 IDO1 (0.58) IDO1AGXTDAOHTR2AHTR2C
SCHEMBL13798154 0.80 POLB (0.38) IDO1HTR2AHTR2CMAOBKCNH2
SCHEMBL434483 0.80 IDO1 (0.46) IDO1AGXTDAOHTR2AHTR2C
SCHEMBL7855279 0.79 MAOB (0.34) IDO1AGXTDAOHTR2AHTR2C
SCHEMBL15227557 0.77 IDO1 (0.43) IDO1AGXTDAOHTR2AHTR2C
SCHEMBL20628898 0.77 IDO1 (0.43) IDO1AGXTDAOHTR2AHTR2C
SCHEMBL6942411 0.77 CYP3A4 (0.48) SMN1; SMN2

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-7842705-B2 Curcumin analogs with anti-tumor and anti-angiogenic properties EMORY UNIVERSITY (US) 2010-11-30 US disclosed
US-20080234320-A1 CURCUMIN ANALOGS WITH ANTI-TUMOR AND ANTI-ANGIOGENIC PROPERTIES EMORY UNIVERSITY 2008-09-25 US disclosed
US-7371766-B2 Curcumin analogs with anti-tumor and anti-angiogenic properties EMORY UNIVERSITY (US) 2008-05-13 US disclosed
US-20040176384-A1 Curcumin analogs with anti-tumor and anti-angiogenic properties EMORY UNIVERSITY 2004-09-09 US disclosed
US-6664272-B2 Such as 1,5-Bis-(2, 4-difluorophenyl)penta-1,4-diene-3 -one; administering to inhibit tissue factor and vascular endothelial growth factor (VEGF) production in cancerous tissue EMORY UNIVERSITY 2003-12-16 US disclosed
EP-1242379-A1 CURCUMIN ANALOGUES FOR TREATING CANCER Emory University (US) 2002-09-25 EP disclosed
WO-2001040188-A9 CURCUMIN ANALOGUES FOR TREATING CANCER UNIV EMORY (US) 2002-07-25 WO disclosed
US-20020019382-A1 Curcumin analogs with anti-tumor and anti-angiogenic properties EMORY UNIVERSITY 2002-02-14 US disclosed
WO-2001040188-A1 CURCUMIN ANALOGUES FOR TREATING CANCER EMORY UNIVERSITY (US) 2001-06-07 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 (3 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-20040176384-A1 Curcumin analogs with anti-tumor and anti-angiogenic properties PGF, VEGFA, VHL IDO1 1367/4885AGXT 4158/4885DAO 4442/4885
US-20080234320-A1 CURCUMIN ANALOGS WITH ANTI-TUMOR AND ANTI-ANGIOGENIC PROPERTIES PGF, VEGFA, VHL IDO1 1367/4885AGXT 4158/4885DAO 4442/4885
US-20020019382-A1 Curcumin analogs with anti-tumor and anti-angiogenic properties PGF, VEGFA, VHL IDO1 1367/4885AGXT 4158/4885DAO 4442/4885

“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.