SCHEMBL20758796

SCHEMBL20758796

CC(C)c1nccc(CC(C)c2ccnc(CC(C)c3ncccc3C#N)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ HPGD P15428 5/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL22221833 0.86 HPGD (0.43) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL22222009 0.78 ALDH1A1 (0.35) ALDH1A1RAB9AL3MBTL1CYP1A2CYP2D6
SCHEMBL25070622 0.77 HPGD (0.43) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL20755826 0.73 HPGD (0.38) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL19492754 0.73 CYP2D6 (0.33) CYP2D6AAK1
SCHEMBL23661740 0.71 ESR1 (0.37) CYP2C19GAA
SCHEMBL18815276 0.71 MAOA (0.42) ALDH1A1
SCHEMBL2627822 0.69 HPGD (0.53) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL10120091 0.68 HPGD (0.56) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL21186473 0.68 ESR1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10457672-B2 γ-diketones as Wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2019-10-29 — — US disclosed
US-20190055227-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS VENTURE FUND VI PTE. LTD. (SG) 2019-02-21 — — 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-20190055227-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 ALDH1A1 1019/4885HPGD 1118/4885SMN1; SMN2 1829/4885
US-10457672-B2 γ-diketones as Wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 ALDH1A1 1093/4885HPGD 1166/4885SMN1; SMN2 1783/4885

“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.

Send feedback