SCHEMBL5489879

SCHEMBL5489879

C=CCCC1CC[C@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.61
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
CYP17A1 P05093 3/20 0.49
CYP1B1 Q16678 1/20 0.48
SRD5A1 P18405 1/20 0.47
SRD5A2 P31213 1/20 0.47
TBXAS1 P24557 1/20 0.46
ESR1 P03372 1/20 0.43
SHBG P04278 1/20 0.43
SERPINA6 P08185 1/20 0.43
AR P10275 1/20 0.43
ESR2 Q92731 1/20 0.43
RORC P51449 1/20 0.43

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
SCHEMBL514562 0.89 CYP19A1 (0.64) CYP19A1GRIN1GRIN2AGRIN2BCYP17A1
SCHEMBL11740332 0.86 CYP19A1 (0.67) CYP19A1GRIN1GRIN2AGRIN2BCYP17A1
SCHEMBL11054544 0.85 CYP19A1 (0.65) CYP19A1GRIN1GRIN2AGRIN2BCYP17A1
SCHEMBL3132563 0.85 CYP19A1 (0.69) CYP19A1GRIN1GRIN2AGRIN2BCYP17A1
SCHEMBL5676587 0.84 CYP19A1 (0.70) CYP19A1GRIN1GRIN2AGRIN2BCYP17A1
SCHEMBL606838 0.84 CYP19A1 (0.70) CYP19A1GRIN1GRIN2AGRIN2BCYP17A1
SCHEMBL11057900 0.83 CYP19A1 (0.63) CYP19A1GRIN1GRIN2AGRIN2BCYP17A1
SCHEMBL3130653 0.83 CYP17A1 (0.69) CYP19A1CYP17A1CYP1B1SRD5A2ESR1
SCHEMBL27648561 0.83 CYP17A1 (0.69) CYP19A1CYP17A1CYP1B1SRD5A2ESR1
SCHEMBL11683685 0.83 CYP19A1 (0.65) CYP19A1GRIN1GRIN2AGRIN2BCYP17A1

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-20070077201-A1 Stem cell expansion and uses BIOVIE INC. 2007-04-05 US claimed

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-20070077201-A1 Stem cell expansion and uses NES, CD44, FGF2 CYP19A1 4139/4885GRIN1 1985/4885GRIN2A 1829/4885

“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.