SCHEMBL6514713

SCHEMBL6514713

C#C[C@@]1(OC(=O)C2=CN(C)C=CC2)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.70
▸ ABCB11 O95342 5/20 0.70
▸ PGR P06401 5/20 0.70
▸ CYP2C19 P33261 4/20 0.70
▸ AR P10275 4/20 0.70
▸ NR3C1 P04150 3/20 0.70
▸ MEN1 O00255 3/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ MAPT P10636 2/20 0.70
▸ ADORA3 P0DMS8 2/20 0.70
▸ CHRM1 P11229 2/20 0.70
▸ SLC6A2 P23975 2/20 0.70
▸ ADRA1A P35348 2/20 0.70
▸ MAPK1 P28482 2/20 0.70
▸ CHRM2 P08172 1/20 0.70
▸ TBXA2R P21731 1/20 0.70
▸ LMNA P02545 5/20 0.56
▸ ESR1 P03372 3/20 0.56
▸ SLC6A4 P31645 3/20 0.56
▸ SHBG P04278 2/20 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
SCHEMBL8507978 1.00 CYP3A4 (0.70) CYP3A4ABCB11PGRCYP2C19AR
SCHEMBL6513528 0.88 PGR (0.58) CYP3A4ABCB11PGRCYP2C19AR
SCHEMBL8510434 0.83 SHBG (0.55) CYP3A4ABCB11PGRCYP2C19AR
SCHEMBL8510437 0.83 SHBG (0.55) CYP3A4ABCB11PGRCYP2C19AR
SCHEMBL9555269 0.83 SHBG (0.55) CYP3A4ABCB11PGRCYP2C19AR
SCHEMBL11291553 0.83 CYP3A4 (0.85) CYP3A4ABCB11PGRCYP2C19AR
Norethindrone Acetate SCHEMBL37530 0.83 CYP3A4 (1.00) CYP3A4ABCB11PGRCYP2C19AR
Norethindrone Acetate SCHEMBL11321479 0.83 CYP3A4 (1.00) CYP3A4ABCB11PGRCYP2C19AR
Norethindrone Acetate SCHEMBL14577826 0.83 CYP3A4 (1.00) CYP3A4ABCB11PGRCYP2C19AR
Norethindrone Acetate SCHEMBL1232662 0.83 CYP3A4 (1.00) CYP3A4ABCB11PGRCYP2C19AR

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-20050059615-A1 Transmucosal dosage forms for brain-targeted steroid chemical delivery systems IVAX CORPORATION 2005-03-17 — — 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-20050059615-A1 Transmucosal dosage forms for brain-targeted steroid chemical delivery systems CYP11B2, CYP11B1, HSD17B7 CYP3A4 156/4885ABCB11 51/4885PGR 521/4885

“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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