SCHEMBL5525067

SCHEMBL5525067

C=C1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.75
ESR2 Q92731 8/20 0.75
SHBG P04278 5/20 0.75
HSD17B10 Q99714 4/20 0.75
LMNA P02545 4/20 0.75
STS P08842 4/20 0.75
PGR P06401 4/20 0.75
AR P10275 4/20 0.75
SLC6A4 P31645 4/20 0.75
SLC6A3 Q01959 4/20 0.75
SERPINA6 P08185 3/20 0.75
SNCA P37840 3/20 0.75
HIF1A Q16665 3/20 0.75
CYP3A4 P08684 3/20 0.75
HTR2B P41595 3/20 0.75
HSD17B1 P14061 2/20 0.75
AKR1B10 O60218 2/20 0.75
CYP1A2 P05177 2/20 0.75
MAPT P10636 2/20 0.75
AKR1B1 P15121 2/20 0.75

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
SCHEMBL1236350 1.00 ESR1 (0.75) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL14924234 1.00 ESR1 (0.75) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL12888972 1.00 ESR1 (0.75) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL13655771 0.87 ESR1 (0.75) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL13752801 0.87 ESR1 (0.75) ESR1ESR2SHBGHSD17B10LMNA
Estrone SCHEMBL23529835 0.86 CYP19A1 (0.95) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL17068938 0.86 STS (0.56) ESR1ESR2SHBGHSD17B10LMNA
Estrone SCHEMBL157262 0.86 CYP19A1 (1.00) ESR1ESR2SHBGHSD17B10LMNA
Estrone SCHEMBL7831317 0.86 CYP19A1 (1.00) ESR1ESR2SHBGHSD17B10LMNA
Estrone SCHEMBL12054811 0.86 CYP19A1 (1.00) ESR1ESR2SHBGHSD17B10LMNA

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715517-B1 ESTRENE STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN HYPOTHALAMIC FUNCTION AND RELATED PHARMACEUTICAL COMPOSITIONS PHERIN PHARM INC (US) 2003-11-05 EP claimed
EP-0847399-A1 NOVEL ESTROGENS Astra Aktiebolag (SE) 1998-06-17 EP claimed
WO-1997008188-A1 NOVEL ESTROGENS ASTRA AKTIEBOLAG (SE) 1997-03-06 WO claimed
JP-1197438-A None JP disclosed
US-20070142345-A1 Steroids for cancer treatment INNOVENTUS PROJECT AB (SE) 2007-06-21 US disclosed
EP-1716166-A2 17-METHYLENE- OR 17-SPIRO-CYCLOPROPANE 7-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE DERIVATIVES WITH ANTI-ESTROGENIC ACTIVITY Innoventus Project AB (SE) 2006-11-02 EP disclosed
WO-2005077968-A2 17-METHYLENE-OR 17 - SPIRO - CYCLOPROPANE 7 - SUBSTITUTED ESTRA - 1, 3, 5 (10) - TRIENE DERIVATIVES WITH ANTI - ESTROGENIC ACTIVITY INNOVENTUS PROJECT AB (SE) 2005-08-25 WO disclosed
EP-0891188-A4 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH PHERIN PHARM INC (US) 2004-09-01 EP disclosed
EP-0914165-A4 STEROIDS AS NEUROCHEMICAL STIMULATORS OF THE VNO TO ALLEVIATE SYMPTOMS OF PMS AND ANXIETY PHERIN PHARM INC (US) 2004-01-21 EP disclosed
US-6352980-B1 ADMINISTERING BY SPRAYING IN NOSE PHERIN PHARMACEUTICALS, INC. 2002-03-05 US disclosed
US-6331534-B1 ADMINISTERING EFFECTIVE AMOUNT OF STEROID WITHIN NASAL PASSAGE OF INDIVIDUAL SUCH THAT IT BINDS SPECIFICALLY TO RECEPTORS ON SURFACE OF NASAL NEUROEPITHELIAL CELLS IN VOMERONASAL ORGAN PHERIN PHARMACEUTICALS, INC. 2001-12-18 US disclosed
WO-1997036596-A9 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH 1997-12-04 WO disclosed
WO-1997036596-A1 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH PHERIN PHARMACEUTICALS, INC. (US) 1997-10-09 WO disclosed
EP-0783513-A1 NOVEL ESTRENES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN CORPORATION (US) 1997-07-16 EP disclosed
US-5633392-A STIMULANTS FOR AUTONOMIC NERVOUS SYSTEM; NOSE SPRAYING PHERIN CORPORATION (US) 1997-05-27 US disclosed
WO-1997008188-A1 NOVEL ESTROGENS ASTRA AKTIEBOLAG (SE) 1997-03-06 WO disclosed
WO-1996010032-A1 NOVEL ESTRENES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN CORPORATION (US) 1996-04-04 WO disclosed
US-4977147-A CONTRACEPTIVES, ANTITUMOR AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1990-12-11 US disclosed
JP-H01197438-A MEDICINAL PREPARATION FOR TREATING MENOPAUSAL DISORDER AND HORMONE-DEPENDENT TUMOR AND AS CONTRACEPTIVE, AND PRODUCTION OF THE MEDICINAL PREPARATION SCHERING AG 1989-08-09 JP disclosed
EP-0320437-A2 17-Methylene and 17-ethylidene estratrienes having an oestrogenic activity SCHERING AKTIENGESELLSCHAFT (DE) 1989-06-14 EP 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-20070142345-A1 Steroids for cancer treatment HSD17B11, ESRRB, ESRRA ESR1 9/4885ESR2 7/4885SHBG 18/4885

“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.