SCHEMBL2646597

SCHEMBL2646597

O=C(C=Cc1ccc(OC(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.66
BCHE P06276 2/20 0.66
NFKB1 P19838 2/20 0.66
NFKB2 Q00653 2/20 0.66
RELA Q04206 2/20 0.66
CYP2D6 P10635 1/20 0.63
MAPT P10636 6/20 0.62
MAOB P27338 5/20 0.62
CYP1B1 Q16678 4/20 0.62
LMNA P02545 3/20 0.62
TNFRSF1A P19438 2/20 0.62
PLIN1 O60240 1/20 0.62
ACHE P22303 1/20 0.62
RECQL P46063 1/20 0.62
PLIN5 Q00G26 1/20 0.62
ABHD5 Q8WTS1 1/20 0.62
KMT2A Q03164 3/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
HSPD1 P10809 2/20 0.59

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
SCHEMBL2664927 1.00 CYP3A4 (0.66) CYP3A4BCHENFKB1NFKB2RELA
SCHEMBL2646595 0.94 CYP1B1 (0.66) CYP3A4BCHENFKB1NFKB2RELA
SCHEMBL2647392 0.92 CYP2D6 (0.63) CYP2D6MAPTMAOBCYP1B1LMNA
SCHEMBL9071316 0.92 CYP2D6 (0.57) CYP3A4BCHENFKB1NFKB2RELA
SCHEMBL2647210 0.92 SRD5A2 (0.58) CYP3A4BCHENFKB1NFKB2RELA
SCHEMBL2646839 0.92 CYP2D6 (0.57) CYP3A4BCHENFKB1NFKB2RELA
SCHEMBL2647212 0.92 SRD5A2 (0.58) CYP3A4BCHENFKB1NFKB2RELA
SCHEMBL9071415 0.92 CYP2D6 (0.57) CYP3A4BCHENFKB1NFKB2RELA
SCHEMBL2646840 0.92 CYP2D6 (0.57) CYP3A4BCHENFKB1NFKB2RELA
SCHEMBL25196548 0.90 XDH (0.67) CYP3A4BCHENFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463715-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-10-06 EP disclosed
US-6762318-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIZED SECONDARY AMIDES; ORAL ADMINISTRATION NOVO NORDISK A/S (DK) 2004-07-13 US disclosed
US-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents PFIZER INC 2003-12-25 US disclosed
WO-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 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 (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-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents GPR119, GLP1R, GIPR CYP3A4 1342/4885BCHE 1350/4885NFKB1 2678/4885

“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.