SCHEMBL4217849

SCHEMBL4217849

[CH2]C(=O)c1ccc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
TDP1 Q9NUW8 2/20 0.60
CYP3A4 P08684 1/20 0.60
TSHR P16473 1/20 0.60
KMT2A Q03164 6/20 0.59
POLB P06746 2/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 4/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TTR P02766 1/20 0.52

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
SCHEMBL5518774 0.87 ALDH1A1 (0.65) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL2156946 0.87 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL3824914 0.87 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL30825381 0.85 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL4337680 0.85 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL176357 0.85 TTR (0.68) ALDH1A1TDP1CYP3A4TSHRKMT2A
Hydrochloric Acid SCHEMBL9775617 0.84 TTR (0.67) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL2747530 0.84 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL7566531 0.84 ALDH1A1 (0.65) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL5518772 0.84 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785425-B2 11β-hydroxyandrosta-4-ene-3-ones SUN PHARMA ADVANCED RESEARCH COMPANY LTD. 2014-07-22 US disclosed
US-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES SUN PHARMA ADVANCE RESEARCH COMPANY (IN) 2009-02-26 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-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES HSD11B1, HSD3B1, HSD3B2 ALDH1A1 634/4885TDP1 3928/4885CYP3A4 127/4885

“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.