SCHEMBL4887827

SCHEMBL4887827

CCOC(=O)C(C[C@@]1(CCO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
SHBG P04278 5/20 0.54
CYP3A4 P08684 5/20 0.54
CYP2C19 P33261 4/20 0.54
SERPINA6 P08185 4/20 0.54
HSD17B10 Q99714 3/20 0.54
HIF1A Q16665 3/20 0.54
TSHR P16473 3/20 0.54
BLM P54132 2/20 0.54
PMP22 Q01453 1/20 0.54
PSEN1 P49768 1/20 0.54
PSEN2 P49810 1/20 0.54
APH1B Q8WW43 1/20 0.54
NCSTN Q92542 1/20 0.54
APH1A Q96BI3 1/20 0.54
PSENEN Q9NZ42 1/20 0.54
AR P10275 3/20 0.53
NR3C1 P04150 5/20 0.52
PGR P06401 4/20 0.52

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
SCHEMBL3356364 0.80 PSEN1 (0.54) LMNASMN1; SMN2SHBGCYP3A4CYP2C19
SCHEMBL27260441 0.78 LMNA (0.69) LMNASMN1; SMN2SHBGCYP3A4CYP2C19
SCHEMBL3357635 0.78 PSEN1 (0.52) LMNASMN1; SMN2SHBGCYP3A4CYP2C19
SCHEMBL2596387 0.77 SHBG (0.64) LMNASMN1; SMN2SHBGCYP3A4CYP2C19
SCHEMBL3861521 0.77 SHBG (0.64) LMNASMN1; SMN2SHBGCYP3A4CYP2C19
SCHEMBL29437217 0.75 SHBG (0.71) LMNASMN1; SMN2SHBGCYP3A4CYP2C19
SCHEMBL10960072 0.75 PSEN1 (0.61) LMNASMN1; SMN2SHBGCYP3A4CYP2C19
SCHEMBL10960067 0.75 PSEN1 (0.61) LMNASMN1; SMN2SHBGCYP3A4CYP2C19
SCHEMBL10385090 0.74 AR (0.65) LMNASMN1; SMN2SHBGCYP3A4CYP2C19
SCHEMBL10442232 0.74 SHBG (0.63) LMNASMN1; SMN2SHBGCYP3A4CYP2C19

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-8450476-B2 Making drospirenone; chemical intermediates e.g. carbethoxy-drospirenone; industrial scale, safe (no chromium catalyst), meets purity requirements RICHTER GEDEON NYRT. (HU) 2013-05-28 US disclosed
US-20080194812-A1 Process for the Preparation of 17-Hydroxy-6Beta, 7Beta; 15Beta, 16Beta-Bismethylene- 17Alpha-Pregn-4-Ene-3-One-21-Carboxylic Acid Y-Lactone and Key Intermediates for this Process RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-08-14 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 (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-20080194812-A1 Process for the Preparation of 17-Hydroxy-6Beta, 7Beta; 15Beta, 16Beta-Bismethylene- 17Alpha-Pregn-4-Ene-3-One-21-Carboxylic Acid Y-Lactone and Key Intermediates for this Process CYP17A1, HSD17B7, HSD17B11 LMNA 1403/4885SMN1; SMN2 4863/4885SHBG 57/4885

“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.