SCHEMBL18562029

SCHEMBL18562029

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINA6 P08185 3/20 1.00
▸ ALDH1A1 P00352 5/20 0.72
▸ SLC22A1 O15245 2/20 0.72
▸ SHBG P04278 2/20 0.72
▸ THRB P10828 1/20 0.72
▸ CYP19A1 P11511 2/20 0.59
▸ CYP3A4 P08684 5/20 0.58
▸ LMNA P02545 5/20 0.58
▸ MAPT P10636 4/20 0.58
▸ HIF1A Q16665 4/20 0.58
▸ TSHR P16473 3/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ PGR P06401 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ SLC22A2 O15244 1/20 0.58
▸ NR1I2 O75469 1/20 0.58

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
SCHEMBL27770953 1.00 SERPINA6 (1.00) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL17831150 1.00 SERPINA6 (1.00) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL14614867 1.00 SERPINA6 (1.00) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL11591462 1.00 SERPINA6 (1.00) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL11511962 1.00 SERPINA6 (1.00) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL17831160 1.00 SERPINA6 (1.00) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL4265197 1.00 SERPINA6 (1.00) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL20342422 1.00 SERPINA6 (1.00) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL17831140 1.00 SERPINA6 (1.00) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL42136 1.00 SERPINA6 (1.00) SERPINA6ALDH1A1SLC22A1SHBGTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190282698-A1 STEROID HORMONE COMPOSITIONS IN MEDIUM CHAIN OILS THERAPEUTICSMD, INC. 2019-09-19 — — US disclosed
US-10328087-B2 Formulations for solubilizing hormones THERAPEUTICSMD, INC. (US) 2019-06-25 — — US disclosed
US-20170056418-A1 FORMULATIONS FOR SOLUBILIZING HORMONES THERAPEUTICSMD, INC. 2017-03-02 — — US disclosed
US-20170056418-A1 FORMULATIONS FOR SOLUBILIZING HORMONES THERAPEUTICSMD, INC. 2017-03-02 — — 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 (3 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-10328087-B2 Formulations for solubilizing hormones SHBG, NR5A1, LHCGR SERPINA6 7/4885ALDH1A1 4480/4885SLC22A1 1058/4885
US-20190282698-A1 STEROID HORMONE COMPOSITIONS IN MEDIUM CHAIN OILS PGR, PGRMC1, PGRMC2 SERPINA6 48/4885ALDH1A1 4396/4885SLC22A1 2784/4885
US-20170056418-A1 FORMULATIONS FOR SOLUBILIZING HORMONES SHBG, NR5A1, LHCGR SERPINA6 7/4885ALDH1A1 4480/4885SLC22A1 1058/4885

“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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