SCHEMBL4890673

SCHEMBL4890673

O=[N+]([O-])c1ccc(-c2ccc(C(F)(F)F)cc2)cc1OCCCO

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
CHEK1 O14757 5/20 0.45
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGES O14684 1/20 0.40
PRSS1 P07477 3/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4596709 0.92 CYP11B1 (0.47) CYP11B1CYP11B2CHEK1POLBALDH1A1
SCHEMBL4596411 0.85 CYP11B1 (0.51) CYP11B1CYP11B2POLBMAPTALDH1A1
SCHEMBL4596717 0.84 CYP11B1 (0.45) CYP11B1CYP11B2CHEK1POLBMAPT
SCHEMBL3903976 0.79 KIF11 (0.51) CHEK1MAPTALDH1A1LMNACYP1A2
SCHEMBL19175209 0.78 MASP2 (0.51) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL3484477 0.77 ALDH1A1 (0.52) MAPTALDH1A1PRSS1NPC1RAB9A
SCHEMBL23226619 0.77 PSEN1 (0.40) POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL4596863 0.76 TTR (0.43) MAPTALDH1A1CYP3A4PTGES
SCHEMBL30931064 0.74 NPC1 (0.46) CYP11B1CYP11B2CHEK1MAPTALDH1A1
SCHEMBL29182853 0.74 NPC1 (0.46) CYP11B1CYP11B2CHEK1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 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 (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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 CYP11B1 780/4885CYP11B2 1046/4885CHEK1 206/4885

“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.