SCHEMBL16389404

SCHEMBL16389404

C#C[C@]1(O)C(=C)C[C@H]2[C@@H]3CC=C4C=C(OC)CCC4[C@H]3CC[C@@]21CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.41
▸ SLC6A4 P31645 7/20 0.41
▸ AR P10275 6/20 0.41
▸ ESR1 P03372 6/20 0.41
▸ SHBG P04278 6/20 0.41
▸ LMNA P02545 5/20 0.41
▸ NR3C1 P04150 5/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ ABCB11 O95342 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ NR1I2 O75469 4/20 0.38
▸ OPRM1 P35372 3/20 0.38
▸ SRD5A2 P31213 2/20 0.36
▸ ADORA3 P0DMS8 3/20 0.35
▸ SLC6A3 Q01959 3/20 0.35
▸ PDE4D Q08499 3/20 0.35
▸ SLC6A2 P23975 2/20 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
SCHEMBL17591552 1.00 PGR (0.41) PGRSLC6A4ARESR1SHBG
SCHEMBL8816492 1.00 PGR (0.41) PGRSLC6A4ARESR1SHBG
SCHEMBL17634423 1.00 PGR (0.41) PGRSLC6A4ARESR1SHBG
SCHEMBL15059190 0.93 PGR (0.38) PGRSLC6A4ARESR1SHBG
SCHEMBL16387350 0.88 PGR (0.41) PGRSLC6A4ARESR1SHBG
SCHEMBL17634364 0.88 PGR (0.41) PGRSLC6A4ARESR1SHBG
SCHEMBL15079255 0.81 SRD5A2 (0.37) PGRSLC6A4ARESR1SHBG
SCHEMBL17591517 0.81 SRD5A2 (0.37) PGRSLC6A4ARESR1SHBG
SCHEMBL15079265 0.81 SRD5A2 (0.37) PGRSLC6A4ARESR1SHBG
SCHEMBL16389288 0.81 SRD5A2 (0.37) PGRSLC6A4ARESR1SHBG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005518-A1 PROCESS FOR ALKYNYLATING 16-SUBSTITUTED-17-KETO STEROIDS CRYSTAL PHARMA, S.A.U. (ES) 2015-01-01 — — 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-20150005518-A1 PROCESS FOR ALKYNYLATING 16-SUBSTITUTED-17-KETO STEROIDS HSD17B7, NR3C2, CYP17A1 PGR 67/4885SLC6A4 2589/4885AR 47/4885

“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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