SCHEMBL984935

SCHEMBL984935

C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(O)/C=C\C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.57
▸ AR P10275 6/20 0.57
▸ NR3C2 P08235 2/20 0.57
▸ LMNA P02545 4/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ NR3C1 P04150 4/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ ABCB11 O95342 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ SHBG P04278 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ ADORA3 P0DMS8 1/20 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
SCHEMBL986018 0.86 AR (0.59) PGRARNR3C2LMNACYP3A4
SCHEMBL923848 0.82 AR (0.48) PGRARNR3C2LMNACYP3A4
SCHEMBL923996 0.82 AR (0.48) PGRARNR3C2LMNACYP3A4
Gestadienol SCHEMBL931512 0.81 AR (0.65) PGRARNR3C2LMNACYP3A4
SCHEMBL984513 0.79 CYP3A4 (0.61) PGRARNR3C2LMNACYP3A4
SCHEMBL984515 0.79 CYP3A4 (0.61) PGRARNR3C2LMNACYP3A4
SCHEMBL982096 0.79 CYP3A4 (0.61) PGRARNR3C2LMNACYP3A4
SCHEMBL2833264 0.78 PGR (0.62) PGRARNR3C2LMNACYP3A4
SCHEMBL985467 0.77 PGR (0.50) PGRARNR3C2LMNACYP3A4
SCHEMBL982238 0.77 PGR (0.50) PGRARNR3C2LMNACYP3A4

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-20110021472-A1 17-HYDROXY-19-NOR-21-CARBOXYLIC ACID-STEROID Y-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING THE DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2011-01-27 — — US claimed
US-8937058-B2 17-hydroxy-19-nor-21-carboxylic acid-steroid γ-lactone derivative, use thereof, and medicament containing the derivative BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-20 — — US disclosed
US-20110021472-A1 17-HYDROXY-19-NOR-21-CARBOXYLIC ACID-STEROID Y-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING THE DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2011-01-27 — — 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-20110021472-A1 17-HYDROXY-19-NOR-21-CARBOXYLIC ACID-STEROID Y-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING THE DERIVATIVE CYP17A1, NR5A1, CYP19A1 PGR 29/4885AR 39/4885NR3C2 17/4885

“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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