SCHEMBL922945

SCHEMBL922945

C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]2(O)/C=C\C(=O)O)[C@@H](C1CC1)CC1=CC(=O)CC[C@@H]13

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.61
PGR P06401 11/20 0.61
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
ABCB11 O95342 2/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
NR3C1 P04150 1/20 0.39
SHBG P04278 1/20 0.39
ADRA2A P08913 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL922773 1.00 AR (0.61) ARPGRLMNACYP3A4ABCB11
SCHEMBL923498 1.00 AR (0.61) ARPGRLMNACYP3A4ABCB11
SCHEMBL922999 1.00 AR (0.61) ARPGRLMNACYP3A4ABCB11
SCHEMBL923405 0.90 AR (0.60) ARPGRLMNACYP3A4ABCB11
SCHEMBL923806 0.90 AR (0.60) ARPGRLMNACYP3A4ABCB11
SCHEMBL923543 0.90 AR (0.60) ARPGRLMNACYP3A4ABCB11
SCHEMBL924017 0.90 AR (0.60) ARPGRLMNACYP3A4ABCB11
SCHEMBL13372600 0.89 AR (0.60) ARPGRLMNACYP3A4ABCB11
SCHEMBL13372610 0.89 AR (0.60) ARPGRLMNACYP3A4ABCB11
SCHEMBL13372641 0.89 AR (0.60) ARPGRLMNACYP3A4ABCB11

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
EP-2238150-B1 15,16-METHYLENE-17-HYDROXY-19-NOR-21-CARBOXYLIC ACID y-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 EP claimed
US-20110015162-A1 15,16-Methylene-17-hydroxy-19-nor-21-carboxylic acid-steroid Y-lactone derivative, use thereof and medicinal products containing the derivative BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 US claimed
US-20110015162-A1 15,16-Methylene-17-hydroxy-19-nor-21-carboxylic acid-steroid Y-lactone derivative, use thereof and medicinal products containing the derivative BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 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-20110015162-A1 15,16-Methylene-17-hydroxy-19-nor-21-carboxylic acid-steroid Y-lactone derivative, use thereof and medicinal products containing the derivative CYP17A1, CYP19A1, HSD17B7 AR 48/4885PGR 29/4885LMNA 430/4885

“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.