SCHEMBL986158

SCHEMBL986158

C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@]3(O)/C=C\C(=O)O)[C@H]2CCC(=O)C=C12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.43
▸ CYP3A4 P08684 4/20 0.41
▸ PGR P06401 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ABCB11 O95342 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ NR3C1 P04150 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ SHBG P04278 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ AR P10275 4/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 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
SCHEMBL982089 0.88 CYP19A1 (0.42) CYP19A1CYP3A4PGRLMNAABCB11
SCHEMBL982281 0.86 PGR (0.44) CYP19A1CYP3A4PGRLMNAABCB11
SCHEMBL924555 0.82 PGR (0.40) CYP19A1CYP3A4PGRLMNAABCB11
SCHEMBL924267 0.82 PGR (0.40) CYP19A1CYP3A4PGRLMNAABCB11
SCHEMBL984515 0.82 CYP3A4 (0.61) CYP19A1CYP3A4PGRLMNAABCB11
SCHEMBL984513 0.82 CYP3A4 (0.61) CYP19A1CYP3A4PGRLMNAABCB11
SCHEMBL982096 0.82 CYP3A4 (0.61) CYP19A1CYP3A4PGRLMNAABCB11
SCHEMBL985419 0.80 PGR (0.56) CYP3A4PGRLMNAABCB11CYP2C19
SCHEMBL987610 0.78 AR (0.57) CYP3A4PGRLMNAABCB11CYP2C19
SCHEMBL985388 0.78 AR (0.57) CYP3A4PGRLMNAABCB11CYP2C19

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 CYP19A1 3/4885CYP3A4 127/4885PGR 29/4885

“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.

Send feedback