SCHEMBL6734151

SCHEMBL6734151

CC1(C)Cc2cc([N+](=O)[O-])cc(OCC3CO3)c2O1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
GLA P06280 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TLR3 O15455 1/20 0.35
DRD4 P21917 3/20 0.35
PKM P14618 2/20 0.35
GAA P10253 1/20 0.35
CYP19A1 P11511 2/20 0.34

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
SCHEMBL4751068 0.83 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4750825 0.82 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4753368 0.81 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4751070 0.81 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4750821 0.80 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2GLANPC1
SCHEMBL4753146 0.80 HTR2A (0.47) ALDH1A1SMN1; SMN2GLANPC1KMT2A
SCHEMBL4751039 0.80 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4750822 0.79 CHRNB2 (0.44) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4753173 0.78 MAPT (0.41) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4753140 0.78 ALDH1A1 (0.36) ALDH1A1LMNAGLANPC1KMT2A

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-20040186170-A1 Benzofuran derivatives, pharmaceutical composition containing the same, and a process for the preparation of the active ingredient EGIS GYOGYSZERGYAR (HU) 2004-09-23 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-20040186170-A1 Benzofuran derivatives, pharmaceutical composition containing the same, and a process for the preparation of the active ingredient CYP2F1, CYP3A4, CYP2S1 ALDH1A1 81/4885LMNA 2499/4885SMN1; SMN2 3211/4885

“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.