SCHEMBL17618295

SCHEMBL17618295

c1ccc(CC2Cc3cccc4cccc(c34)C2)nc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.42
HRH1 P35367 1/20 0.36
MAP4K4 O95819 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
SIGMAR1 Q99720 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
LIN28A Q9H9Z2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 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
SCHEMBL1515445 0.74 SMN1; SMN2 (0.48) HRH1MAP4K4SMN1; SMN2MAPTLIN28A
SCHEMBL30418424 0.73 HRH1 (0.42) HRH1SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL17618302 0.72 KMT2A (0.48) HRH1SIGMAR1KDM4E
SCHEMBL1515203 0.71 HPGD (0.49) HRH1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL11541050 0.70 CYP19A1 (0.40) CYP19A1HRH1SMN1; SMN2MAPTLIN28A
SCHEMBL11541056 0.70 CYP19A1 (0.40) CYP19A1HRH1SMN1; SMN2MAPTLIN28A
SCHEMBL11541062 0.70 CYP19A1 (0.40) CYP19A1HRH1SMN1; SMN2MAPTLIN28A
SCHEMBL8911524 0.69 HPGD (0.55) HRH1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL10217436 0.69 SLC6A4 (0.43) HRH1SMN1; SMN2MAPTLIN28ATDP1
Bromide SCHEMBL28182316 0.68 HPGD (0.54) HRH1SMN1; SMN2NPC1RAB9AKDM4E

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-20160083558-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PLASTIPAK PACKAGING, INC. (US) 2016-03-24 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-20160083558-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PRDX5, LPO, CAT CYP19A1 1356/4885HRH1 4866/4885MAP4K4 4738/4885

“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.