SCHEMBL3462994

SCHEMBL3462994

COc1cc(O)c(F)c(C(OC)OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.45
ABL1 P00519 2/20 0.36
ABCB1 P08183 2/20 0.36
BCR P11274 2/20 0.36
MAPK1 P28482 3/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ERN1 O75460 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CYP1A1 P04798 2/20 0.33
CYP1B1 Q16678 2/20 0.33
TRIM24 O15164 1/20 0.33
TYR P14679 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL2701785 0.77 PDE4A (0.34) ALDH1A1KDM4EGAA
SCHEMBL24861772 0.74 CYP3A4 (0.54) CYP3A4ABL1ABCB1BCRMAPK1
SCHEMBL2700794 0.74 ERN1 (0.41) ERN1ALDH1A1RAB9ACYP1A1CYP1B1
SCHEMBL4405336 0.71 ALDH1A1 (0.52) CYP3A4ABL1ABCB1BCRMAPK1
SCHEMBL2701413 0.69 CYP2D6 (0.41) MAPK1CYP1A1CYP1B1CYP1A2MEN1
SCHEMBL4411872 0.68 CYP3A4 (0.47) CYP3A4ABL1ABCB1BCRMAPK1
SCHEMBL5162105 0.67 CYP3A4 (0.45) CYP3A4ABL1ABCB1BCRMAPK1
SCHEMBL2597207 0.67 ERN1 (0.58) CYP3A4MAPK1USP2SMN1; SMN2ERN1
SCHEMBL4405322 0.67 NPC1 (0.46) CYP3A4ABL1MAPK1USP2SMN1; SMN2
SCHEMBL4412659 0.67 CYP3A4 (0.45) CYP3A4ABL1ABCB1BCRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US disclosed
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US disclosed
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US disclosed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 US disclosed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 US disclosed
EP-1810965-A1 HYDRAZIDE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2007-07-25 EP disclosed
EP-1810965-A1 HYDRAZIDE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2007-07-25 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 (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-20100240654-A1 HYDRAZIDE DERIVATIVES H1-10, H1-4, H1-3 CYP3A4 215/4885ABL1 2495/4885ABCB1 907/4885
US-20080132507-A1 Hydrazide Derivatives H1-10, H1-4, H1-3 CYP3A4 215/4885ABL1 2495/4885ABCB1 907/4885

“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.