SCHEMBL14020702

SCHEMBL14020702

CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3[C@@H](OC(=O)Nc3ccc4c(c3)OCO4)C[C@]12C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ PGR P06401 3/20 0.50
▸ CYP2C19 P33261 3/20 0.50
▸ AR P10275 2/20 0.50
▸ CHRM1 P11229 2/20 0.50
▸ ADRA1A P35348 2/20 0.50
▸ TBXA2R P21731 1/20 0.50
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ HSD11B2 P80365 5/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ NR3C2 P08235 3/20 0.38
▸ HSD11B1 P28845 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP2C9 P11712 4/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HIF1A Q16665 3/20 0.37
▸ NR3C1 P04150 2/20 0.37

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
SCHEMBL14020827 0.91 CYP3A4 (0.46) CYP3A4ALDH1A1PGRCYP2C19AR
SCHEMBL14069442 0.91 CYP3A4 (0.46) CYP3A4ALDH1A1PGRCYP2C19AR
SCHEMBL14020722 0.87 CYP17A1 (0.42) CYP3A4ALDH1A1PGRCYP2C19AR
SCHEMBL14020699 0.87 CYP3A4 (0.54) CYP3A4ALDH1A1PGRCYP2C19AR
SCHEMBL14020696 0.86 CYP3A4 (0.56) CYP3A4ALDH1A1PGRCYP2C19AR
SCHEMBL14020697 0.86 CYP3A4 (0.52) CYP3A4ALDH1A1PGRCYP2C19AR
SCHEMBL14020704 0.86 CYP3A4 (0.52) CYP3A4ALDH1A1PGRCYP2C19AR
SCHEMBL14070119 0.86 NPC1 (0.42) CYP3A4ALDH1A1PGRCYP2C19AR
SCHEMBL14020739 0.85 CYP3A4 (0.53) CYP3A4ALDH1A1PGRCYP2C19AR
SCHEMBL14020735 0.85 NPC1 (0.40) CYP3A4ALDH1A1PGRCYP2C19AR

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
US-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-09 — — US disclosed
US-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-09 — — US disclosed
WO-2008113851-A2 NOVEL C11 MODIFIED RETROSTEROIDS AS PROGESTERONE RECEPTOR MODULATOR COMPOUNDS SOLVAY PHARMACEUTICALS GMBH (DE) 2008-09-25 — — WO 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-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds HSD17B11, CYP19A1, ESRRA CYP3A4 789/4885ALDH1A1 1234/4885PGR 11/4885

“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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