SCHEMBL21081696

SCHEMBL21081696

CCNCCCCC(NC(C)C)C(=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ MEN1 O00255 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ KDM1A O60341 3/20 0.32
▸ EPHX1 P07099 1/20 0.31
▸ PAOX Q6QHF9 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ SAT1 P21673 1/20 0.30
▸ SIRT6 Q8N6T7 1/20 0.30
▸ SIRT1 Q96EB6 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
SCHEMBL24220974 1.00 CYP2C19 (0.38) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL26002531 0.85 EPHX1 (0.33) EPHX1
SCHEMBL18929779 0.85 OPRK1 (0.30) —
SCHEMBL22799575 0.85 CYP2C19 (0.39) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL25134176 0.85 CYP2C19 (0.39) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL21891783 0.83 — —
SCHEMBL21297374 0.83 KISS1R (0.39) EPHX1
SCHEMBL16692066 0.83 KISS1R (0.39) EPHX1
SCHEMBL17662433 0.83 KDM4E (0.35) —
SCHEMBL16248631 0.83 KDM4E (0.35) —

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
WO-2023057814-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDERS VINCERX PHARMA GMBH (DE) 2023-04-13 — — WO disclosed
US-20220395525-A1 THERAPEUTIC DENDRIMER STARPHARMA PTY LTD. (AU) 2022-12-15 — — US disclosed
US-10314920-B2 Therapeutic dendrimers ASTRAZENECA AB (SE) 2019-06-11 — — 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 (2 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-10314920-B2 Therapeutic dendrimers CD44, ITGAV, FOLR1 CYP2C19 1908/4885CYP1A2 2337/4885MEN1 1086/4885
US-20220395525-A1 THERAPEUTIC DENDRIMER DCK, PAICS, SAMHD1 CYP2C19 4808/4885CYP1A2 4827/4885MEN1 2233/4885

“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.

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