SCHEMBL25083097

SCHEMBL25083097

C=C/C(=C\C=C(/C)C(=O)N(C)C)Oc1ccc(C(C)(C)CC)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.35
SRD5A1 P18405 3/20 0.34
BCHE P06276 2/20 0.34
THRB P10828 1/20 0.34
HRH3 Q9Y5N1 8/20 0.33
CHRM2 P08172 1/20 0.32

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
SCHEMBL11508489 0.75 THRB (0.57) TDP1NPC1RAB9APOLBCYP2C9
SCHEMBL29320966 0.72 THRB (0.50) TDP1NPC1RAB9APOLBCYP2C9
SCHEMBL1787793 0.70 TDP1 (0.52) TDP1NPC1RAB9APOLBCYP2C9
SCHEMBL1952350 0.69 TDP1 (0.54) TDP1NPC1RAB9APOLBCYP2C9
SCHEMBL2255475 0.67 NPC1 (0.47) TDP1NPC1RAB9APOLBCYP2C9
SCHEMBL15095780 0.67 TDP1 (0.49) TDP1NPC1RAB9APOLBCYP2C9
SCHEMBL1833341 0.66 NPC1 (0.54) TDP1NPC1RAB9APOLBCYP2C9
SCHEMBL1790593 0.66 KMT2A (0.56) TDP1NPC1RAB9APOLBCYP2C9
SCHEMBL26085048 0.66 ELANE (0.61) TDP1NPC1RAB9APOLBCYP2C9
SCHEMBL25784281 0.66 THRB (0.43) TDP1NPC1RAB9APOLBCYP2C9

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-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 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-11591289-B2 Aromatic compounds AHR, TYR, MUSK TDP1 1153/4885NPC1 4499/4885RAB9A 3345/4885

“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.