SCHEMBL17831148

SCHEMBL17831148

CC(O)[C@@H]1CCC2C3CCC4=CC(=O)CC[C@H]4C3CC[C@]21C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.71
▸ SERPINA6 P08185 2/20 0.71
▸ SHBG P04278 2/20 0.71
▸ SLC22A1 O15245 1/20 0.71
▸ THRB P10828 1/20 0.71
▸ MAPT P10636 3/20 0.59
▸ CYP17A1 P05093 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ CYP19A1 P11511 2/20 0.58
▸ HIF1A Q16665 2/20 0.56
▸ MCL1 Q07820 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ LMNA P02545 3/20 0.54
▸ CYP3A4 P08684 2/20 0.53
▸ ABCB11 O95342 2/20 0.53
▸ PGR P06401 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53

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
SCHEMBL6462419 1.00 ALDH1A1 (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL6462806 1.00 ALDH1A1 (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL27757818 1.00 ALDH1A1 (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL9030382 1.00 ALDH1A1 (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL6466563 1.00 ALDH1A1 (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL6463123 1.00 ALDH1A1 (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL6463120 1.00 ALDH1A1 (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL6462803 1.00 ALDH1A1 (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL17831182 1.00 ALDH1A1 (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL636275 1.00 ALDH1A1 (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB

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 ALDH1A1 1552/4885SERPINA6 11/4885SHBG 21/4885

“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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