SCHEMBL23106926

SCHEMBL23106926

CC(=O)O[C@H]1CC2=CCC[C@@H](C)[C@]2(C)CC1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.37
▸ TDP1 Q9NUW8 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP17A1 P05093 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ CYP19A1 P11511 6/20 0.32
▸ SRD5A2 P31213 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 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
SCHEMBL24246295 0.78 CYP3A4 (0.53) CYP3A4TDP1MEN1KMT2ACYP2C19
SCHEMBL23106913 0.76 CYP19A1 (0.36) CYP3A4TDP1CYP2C19CYP2C9CYP19A1
SCHEMBL23090523 0.67 HPGD (0.30) —
SCHEMBL24246305 0.67 HPGD (0.30) —
SCHEMBL23106867 0.65 SHBG (0.44) CYP3A4MEN1KMT2ACYP17A1CYP19A1
SCHEMBL24246306 0.65 SHBG (0.44) CYP3A4MEN1KMT2ACYP17A1CYP19A1
SCHEMBL24246204 0.63 SMN1; SMN2 (0.34) CYP2C19CYP19A1
SCHEMBL23106956 0.63 SMN1; SMN2 (0.34) CYP2C19CYP19A1
SCHEMBL23106927 0.63 SMN1; SMN2 (0.34) CYP2C19CYP19A1
SCHEMBL13347821 0.63 CYP3A4 (0.58) CYP3A4TDP1MEN1KMT2ACYP2C19

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-12018006-B2 Method of producing EPD and analogues thereof VAN HAAFTEN CAROLINE (NL) 2024-06-25 — — US disclosed
US-20210078965-A1 METHOD OF PRODUCING EPD AND ANALOGUES THEREOF VAN HAAFTEN CAROLINE (NL) 2021-03-18 — — 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-12018006-B2 Method of producing EPD and analogues thereof EPX, EPB41, ERG28 CYP3A4 347/4885TDP1 3269/4885MEN1 1546/4885
US-20210078965-A1 METHOD OF PRODUCING EPD AND ANALOGUES THEREOF EPX, EPB41, ERG28 CYP3A4 347/4885TDP1 3269/4885MEN1 1546/4885

“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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