SCHEMBL17831183

SCHEMBL17831183

C[C@@]12CCC3C4CCC(=O)C=C4CCC3C1CCC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 7/20 1.00
▸ SERPINA6 P08185 4/20 0.63
▸ ALDH1A1 P00352 4/20 0.63
▸ SHBG P04278 4/20 0.63
▸ SLC22A1 O15245 1/20 0.63
▸ THRB P10828 1/20 0.63
▸ LMNA P02545 4/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ ABCB11 O95342 2/20 0.57
▸ PGR P06401 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ ESR1 P03372 1/20 0.57
▸ NR3C1 P04150 1/20 0.57
▸ ADRA2A P08913 1/20 0.57
▸ SLC6A4 P31645 1/20 0.57
▸ NR3C2 P08235 1/20 0.56
▸ AR P10275 1/20 0.56
▸ MAPK1 P28482 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
SCHEMBL14871417 1.00 CYP19A1 (1.00) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL11627782 1.00 CYP19A1 (1.00) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL16387354 1.00 CYP19A1 (1.00) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL20088312 1.00 CYP19A1 (1.00) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL868884 1.00 CYP19A1 (1.00) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL17591556 1.00 CYP19A1 (1.00) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL11632217 1.00 CYP19A1 (1.00) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL12413521 1.00 CYP19A1 (1.00) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL21807725 1.00 CYP19A1 (1.00) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL30875868 1.00 CYP19A1 (1.00) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168190-A1 C-20 STEROID COMPOUNDS, COMPOSITIONS AND USES THEREOF TO TREAT TRAUMATIC BRAIN INJURY (TBI), INCLUDING CONCUSSIONS ORAGENICS, INC. 2016-06-16 — — US disclosed
US-20160168190-A1 C-20 STEROID COMPOUNDS, COMPOSITIONS AND USES THEREOF TO TREAT TRAUMATIC BRAIN INJURY (TBI), INCLUDING CONCUSSIONS ORAGENICS, INC. 2016-06-16 — — 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-20160168190-A1 C-20 STEROID COMPOUNDS, COMPOSITIONS AND USES THEREOF TO TREAT TRAUMATIC BRAIN INJURY (TBI), INCLUDING CONCUSSIONS CYP17A1, HSD17B7, FABP7 CYP19A1 86/4885SERPINA6 11/4885ALDH1A1 1552/4885

“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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