SCHEMBL4903486

SCHEMBL4903486

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.69
ESR2 Q92731 10/20 0.69
HSD17B10 Q99714 3/20 0.67
LMNA P02545 3/20 0.67
NR3C1 P04150 3/20 0.67
TSHR P16473 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
HIF1A Q16665 2/20 0.67
SHBG P04278 2/20 0.67
PGR P06401 2/20 0.67
SERPINA6 P08185 2/20 0.67
AR P10275 2/20 0.67
SLC6A4 P31645 2/20 0.67
SNCA P37840 2/20 0.67
SLC6A3 Q01959 2/20 0.67
CYP1A2 P05177 1/20 0.67
SLC22A1 O15245 1/20 0.67

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
SCHEMBL30060206 1.00 ESR1 (0.69) ESR1ESR2HSD17B10LMNANR3C1
SCHEMBL4906263 1.00 ESR1 (0.69) ESR1ESR2HSD17B10LMNANR3C1
SCHEMBL18919494 1.00 ESR1 (0.69) ESR1ESR2HSD17B10LMNANR3C1
SCHEMBL22368047 1.00 ESR1 (0.69) ESR1ESR2HSD17B10LMNANR3C1
SCHEMBL4903481 1.00 ESR1 (0.69) ESR1ESR2HSD17B10LMNANR3C1
SCHEMBL29198797 1.00 ESR1 (0.69) ESR1ESR2HSD17B10LMNANR3C1
SCHEMBL18935788 1.00 ESR1 (0.69) ESR1ESR2HSD17B10LMNANR3C1
SCHEMBL10520331 0.90 ESR1 (0.57) ESR1ESR2HSD17B10LMNANR3C1
SCHEMBL11100027 0.89 ESR1 (0.67) ESR1ESR2HSD17B10LMNANR3C1
SCHEMBL11100019 0.89 ESR1 (0.67) ESR1ESR2HSD17B10LMNANR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293683-A1 Hormone Replacement Therapy UNIVERSITY OF KANSAS MEDICAL CENTER (US) 2008-11-27 US disclosed
US-6274118-B1 INJECTING PATIENT HAVING ENDOCRINE CANCER IN NON-PROSTATIC TISSUE WITH BIOLOGICAL BINDING UNITS WHICH BIND TO PROSTATE SPECIFIC ANTIGEN PRODUCED BY NON-PROSTATIC TISSUE NORDION INTERNATIONAL INC. (CA) 2001-08-14 US disclosed
WO-1995002424-A1 LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN NORDION INTERNATIONAL INC. (CA) 1995-01-26 WO disclosed
US-4013688-A STEROIDS THE UPJOHN COMPANY (US) 1977-03-22 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-20080293683-A1 Hormone Replacement Therapy ESR2, SHBG, ESRRG ESR1 4/4885ESR2 1/4885HSD17B10 215/4885

“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.