SCHEMBL14020701

SCHEMBL14020701

CCO[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3[C@@H](OC(=O)Nc3cccc(OC)c3)C[C@@]21C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.38
▸ CYP3A4 P08684 5/20 0.38
▸ AR P10275 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ CHRM1 P11229 3/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ TBXA2R P21731 2/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ CYP19A1 P11511 2/20 0.38
▸ NR3C1 P04150 5/20 0.36
▸ LMNA P02545 5/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ NPSR1 Q6W5P4 4/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ MAPK1 P28482 2/20 0.35

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
SCHEMBL14045267 0.86 GAA (0.33) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL14020720 0.86 MAPT (0.35) PGRCYP3A4ARALDH1A1NR3C1
SCHEMBL14020735 0.86 NPC1 (0.40) PGRCYP3A4ARALDH1A1CHRM1
SCHEMBL14020704 0.85 CYP3A4 (0.52) PGRCYP3A4ARALDH1A1CHRM1
SCHEMBL14020713 0.82 NR3C2 (0.44) PGRCYP3A4ARALDH1A1CHRM1
SCHEMBL14069927 0.80 CYP3A4 (0.47) PGRCYP3A4ARALDH1A1CHRM1
SCHEMBL14020697 0.79 CYP3A4 (0.52) PGRCYP3A4ARALDH1A1CHRM1
SCHEMBL14020699 0.78 CYP3A4 (0.54) PGRCYP3A4ARALDH1A1CHRM1
SCHEMBL14020681 0.78 CYP19A1 (0.39) PGRCYP3A4ARALDH1A1CHRM1
SCHEMBL14020717 0.78 CYP3A4 (0.49) PGRCYP3A4ARALDH1A1CHRM1

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 PGR 11/4885CYP3A4 789/4885AR 113/4885

“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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