SCHEMBL10000326

SCHEMBL10000326

C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43O)C1CC1CC12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 7/20 0.57
ALDH1A1 P00352 5/20 0.53
NR3C1 P04150 4/20 0.53
PGR P06401 4/20 0.53
ADRA1A P35348 2/20 0.53
HTR2B P41595 2/20 0.53
LMNA P02545 7/20 0.52
CYP19A1 P11511 6/20 0.52
HSD17B10 Q99714 5/20 0.52
CYP3A4 P08684 5/20 0.52
TSHR P16473 5/20 0.52
SERPINA6 P08185 5/20 0.52
MAPK1 P28482 5/20 0.52
SNCA P37840 4/20 0.52
MAPT P10636 4/20 0.52
AR P10275 3/20 0.52
GPBAR1 Q8TDU6 3/20 0.52
SIGMAR1 Q99720 3/20 0.52
CACNA1C Q13936 2/20 0.52
CYP51A1 Q16850 2/20 0.52

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
SCHEMBL17209908 0.86 SHBG (0.76) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL1249378 0.83 SHBG (0.53) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL26669368 0.83 SHBG (0.53) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL17209919 0.82 CYP19A1 (0.76) SHBGALDH1A1NR3C1PGRLMNA
SCHEMBL13084093 0.82 CYP19A1 (0.76) SHBGALDH1A1NR3C1PGRLMNA
SCHEMBL21386973 0.80 ALDH1A1 (0.77) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL2838514 0.80 CYP3A4 (0.55) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL5925766 0.80 CYP19A1 (0.76) SHBGALDH1A1LMNACYP19A1HSD17B10
SCHEMBL5925769 0.80 CYP19A1 (0.76) SHBGALDH1A1LMNACYP19A1HSD17B10
SCHEMBL2832330 0.79 AR (0.57) SHBGALDH1A1NR3C1PGRADRA1A

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
US-8431559-B2 Treatment of hot flashes PHERIN PHARMACEUTICALS, INC. (US) 2013-04-30 US disclosed
US-20120108558-A1 Treatment of Hot Flashes PHERIN PHARMACEUTICALS, INC. 2012-05-03 US disclosed
US-20090258040-A1 STEROID TREATMENT FOR HOT FLASHES PHERIN PHARMACEUTICALS, INC. (US) 2009-10-15 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 (2 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-20090258040-A1 STEROID TREATMENT FOR HOT FLASHES CYP19A1, SHBG, HSD17B11 SHBG 2/4885ALDH1A1 597/4885NR3C1 25/4885
US-20120108558-A1 Treatment of Hot Flashes HSD17B11, HSD3B1, HSD3B2 SHBG 68/4885ALDH1A1 1117/4885NR3C1 85/4885

“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.