SCHEMBL22472964

SCHEMBL22472964

CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@H](O)CC1C(C)(C)CCC[C@]21C=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.35
▸ FDPS P14324 8/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ GGPS1 O95749 2/20 0.32
▸ PTGES O14684 1/20 0.31
▸ PNLIP P16233 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CDC25A P30304 1/20 0.30
▸ DUSP3 P51452 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
Horminone SCHEMBL22861860 0.85 CYP19A1 (0.45) CYP19A1FDPSEP300GGPS1PTGES
Horminone SCHEMBL22861891 0.85 CYP19A1 (0.45) CYP19A1FDPSEP300GGPS1PTGES
SCHEMBL30088312 0.75 CYP19A1 (0.45) CYP19A1FDPSEP300GGPS1PTGES
SCHEMBL14303936 0.71 EP300 (0.40) CYP19A1FDPSEP300GGPS1
SCHEMBL14303934 0.68 EP300 (0.35) FDPSEP300
SCHEMBL22861892 0.68 FDPS (0.39) CYP19A1FDPSEP300GGPS1
SCHEMBL21291505 0.68 EP300 (0.40) CYP19A1FDPSEP300GGPS1PTGES
Royleanone SCHEMBL21291506 0.67 CYP3A4 (0.44) CYP19A1FDPSEP300GGPS1PTGES
Royleanone SCHEMBL16006778 0.67 CYP3A4 (0.44) CYP19A1FDPSEP300GGPS1PTGES
SCHEMBL22861886 0.65 EP300 (0.38) CYP19A1FDPSEP300GGPS1

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-20200368180-A1 Deacetylnemorone Abietane Diterpenoids for Use in Cancer Treatment NATIONAL SCIENCE FOUNDATION 2020-11-26 — — US disclosed
US-10786468-B2 Deacetylnemorone abietane diterpenoids for use in cancer treatment UNIVERSITY OF SOUTH CAROLINA (US) 2020-09-29 — — 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-10786468-B2 Deacetylnemorone abietane diterpenoids for use in cancer treatment NCEH1, DOHH, AMDHD2 CYP19A1 385/4885FDPS 2732/4885EP300 2170/4885
US-20200368180-A1 Deacetylnemorone Abietane Diterpenoids for Use in Cancer Treatment NCEH1, DOHH, AMDHD2 CYP19A1 395/4885FDPS 2721/4885EP300 2067/4885

“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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