SCHEMBL11977689

SCHEMBL11977689

C[C@@]12CCCC1C1CCC3=CC(=O)CCC3C1CC2

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.66
▸ SERPINA6 P08185 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ SHBG P04278 2/20 0.62
▸ SLC22A1 O15245 1/20 0.62
▸ THRB P10828 1/20 0.62
▸ PGR P06401 4/20 0.56
▸ LMNA P02545 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ ABCB11 O95342 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ ESR1 P03372 1/20 0.56
▸ NR3C1 P04150 1/20 0.56
▸ ADRA2A P08913 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ AR P10275 3/20 0.55
▸ NR3C2 P08235 2/20 0.55

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
SCHEMBL922877 1.00 CYP19A1 (0.66) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL19608861 1.00 CYP19A1 (0.66) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL26425075 1.00 CYP19A1 (0.66) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL13216466 1.00 CYP19A1 (0.66) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
Cyclohexane Propionic Acid SCHEMBL27589911 0.84 SERPINA6 (0.49) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL9116613 0.82 CYP19A1 (0.60) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL11795958 0.81 AR (0.64) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL9948814 0.81 CYP19A1 (0.44) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL9948623 0.81 CYP19A1 (0.44) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL24102654 0.80 PGR (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015181391-A1 METHOD FOR THE DIAGNOSIS OF ALZHEIMER'S DISEASE AND MILD COGNITIVE IMPAIRMENT BIOCROSS, S.L. (ES) 2015-12-03 — — WO disclosed
US-8236565-B2 Tagging reagents and methods for hydroxylated compounds DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2012-08-07 — — US disclosed
US-20080014642-A1 TAGGING REAGENTS AND METHODS FOR HYDROXYLATED COMPOUNDS APPLIED BIOSYSTEMS, INC. (US) 2008-01-17 — — 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-20080014642-A1 TAGGING REAGENTS AND METHODS FOR HYDROXYLATED COMPOUNDS DHCR7, SRMS, CYP21A2 CYP19A1 42/4885SERPINA6 279/4885ALDH1A1 1485/4885

“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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