SCHEMBL3046319

SCHEMBL3046319

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@]2(O)CCCCCO

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 14/20 0.85
ESR1 P03372 2/20 0.64
ESR2 Q92731 2/20 0.64
SLC22A2 O15244 1/20 0.64
NR1I2 O75469 1/20 0.64
ABCB11 O95342 1/20 0.64
NR3C1 P04150 1/20 0.64
SHBG P04278 1/20 0.64
PGR P06401 1/20 0.64
CYP3A4 P08684 1/20 0.64
HTR1A P08908 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
AR P10275 1/20 0.64
ADRB3 P13945 1/20 0.64
CYP2B6 P20813 1/20 0.64
TBXA2R P21731 1/20 0.64
UGT1A1 P22309 1/20 0.64
SLC6A2 P23975 1/20 0.64
PDE4A P27815 1/20 0.64
ADORA2A P29274 1/20 0.64

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
SCHEMBL3178837 1.00 STS (0.85) STSESR1ESR2SLC22A2NR1I2
SCHEMBL3178828 1.00 STS (0.85) STSESR1ESR2SLC22A2NR1I2
SCHEMBL3046316 1.00 STS (0.85) STSESR1ESR2SLC22A2NR1I2
SCHEMBL3051244 0.96 STS (0.84) STSESR1ESR2SLC22A2NR1I2
SCHEMBL13478102 0.96 STS (0.84) STSESR1ESR2SLC22A2NR1I2
SCHEMBL3051243 0.96 STS (0.84) STSESR1ESR2SLC22A2NR1I2
SCHEMBL31508217 0.92 STS (0.81) STSESR1ESR2SLC22A2NR1I2
SCHEMBL6696338 0.89 STS (0.69) STSESR1
SCHEMBL27574592 0.89 STS (0.69) STSESR1
SCHEMBL486651 0.87 STS (0.79) STSESR1ESR2SLC22A2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357675-B2 17-alpha-substituted derivatives of estradiol with wound-healing activity EUTICALS S.P.A. (IT) 2013-01-22 US disclosed
EP-1910398-B1 17-ALPHA-SUBSTITUTED DERIVATIVES OF ESTRADIOL WITH WOUND-HEALING ACTIVITY PRIME EUROP THERAPEUTICALS (IT) 2010-11-24 EP disclosed
US-20100035796-A1 17-ALPHA-SUBSTITUTED DERIVATIVES OF ESTRADIOL WITH WOUND-HEALING ACTIVITY EUTICALS S.P.A. (IT) 2010-02-11 US disclosed
EP-1910398-A1 17-ALPHA-SUBSTITUTED DERIVATIVES OF ESTRADIOL WITH WOUND-HEALING ACTIVITY Euticals S.P.A. (IT) 2008-04-16 EP disclosed
WO-2007014711-A1 17-ALPHA-SUBSTITUTED DERIVATIVES OF ESTRADIOL WITH WOUND-HEALING ACTIVITY EUTICALS S.P.A. (IT) 2007-02-08 WO 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-20100035796-A1 17-ALPHA-SUBSTITUTED DERIVATIVES OF ESTRADIOL WITH WOUND-HEALING ACTIVITY HSD17B11, CYP19A1, ESR1 STS 140/4885ESR1 3/4885ESR2 5/4885

“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.