SCHEMBL984513

SCHEMBL984513

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(O)/C=C/C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.61
▸ ABCB11 O95342 3/20 0.61
▸ PGR P06401 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ CYP2C19 P33261 2/20 0.61
▸ NR3C1 P04150 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ SHBG P04278 2/20 0.61
▸ TSHR P16473 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ ESR1 P03372 1/20 0.61
▸ ADRA2A P08913 1/20 0.61
▸ SLC6A4 P31645 1/20 0.61
▸ MAPT P10636 2/20 0.56
▸ AR P10275 2/20 0.56
▸ CHRM2 P08172 1/20 0.56
▸ ADORA3 P0DMS8 1/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ TBXA2R P21731 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56

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
SCHEMBL982096 1.00 CYP3A4 (0.61) CYP3A4ABCB11PGRLMNACYP2C19
SCHEMBL984515 1.00 CYP3A4 (0.61) CYP3A4ABCB11PGRLMNACYP2C19
SCHEMBL9618987 0.89 CYP3A4 (0.64) CYP3A4ABCB11PGRLMNACYP2C19
SCHEMBL9618951 0.89 CYP3A4 (0.64) CYP3A4ABCB11PGRLMNACYP2C19
SCHEMBL9619010 0.89 CYP3A4 (0.64) CYP3A4ABCB11PGRLMNACYP2C19
SCHEMBL10477575 0.87 CYP3A4 (0.64) CYP3A4ABCB11PGRLMNACYP2C19
SCHEMBL9619142 0.87 CYP3A4 (0.64) CYP3A4ABCB11PGRLMNACYP2C19
SCHEMBL9618991 0.87 CYP3A4 (0.64) CYP3A4ABCB11PGRLMNACYP2C19
SCHEMBL13013675 0.85 CYP3A4 (0.61) CYP3A4ABCB11PGRLMNACYP2C19
SCHEMBL983773 0.85 CYP3A4 (0.61) CYP3A4ABCB11PGRLMNACYP2C19

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 CYP3A4 127/4885ABCB11 1441/4885PGR 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.

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