SCHEMBL17736731

SCHEMBL17736731

CC(C)N1C(=O)C2CC3C(=O)N(C(C)C)C(=O)C3CC2C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL13684329 1.00 CYP19A1 (0.33) CYP19A1MEN1KMT2AGAATDP1
SCHEMBL12534609 0.88 MEN1 (0.37) CYP19A1MEN1KMT2AGAAALDH1A1
SCHEMBL24777091 0.87 HRH3 (0.32) CYP19A1HRH3
SCHEMBL13532545 0.84 MEN1 (0.42) CYP19A1MEN1KMT2ATDP1ALDH1A1
SCHEMBL13532895 0.83 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL24303333 0.81 POLB (0.42) MEN1KMT2AGAATDP1ALDH1A1
SCHEMBL13684308 0.80 MAPK1 (0.37) CYP19A1GAATDP1ALDH1A1HPGD
SCHEMBL21016807 0.80 MEN1 (0.31) MEN1KMT2AALDH1A1HPGD
SCHEMBL13532554 0.80 SMN1; SMN2 (0.39) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL12308315 0.80 SMN1; SMN2 (0.39) MEN1KMT2AALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4108704-A1 POLYIMIDE COPOLYMER AND POLYIMIDE FILM USING THE SAME Jeonju University Office of Industry-University Cooperation (KR) 2022-12-28 EP disclosed
US-9546169-B2 Redox active triangular organic materials NORTHWESTERN UNIVERSITY (US) 2017-01-17 US disclosed
US-20160130271-A1 REDOX ACTIVE TRIANGULAR ORGANIC MATERIALS NORTHWESTERN UNIVERSITY 2016-05-12 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-20160130271-A1 REDOX ACTIVE TRIANGULAR ORGANIC MATERIALS MT-ND1, NQO1, GPX4 CYP19A1 1599/4885MEN1 4586/4885KMT2A 4231/4885

“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.