SCHEMBL1249500

SCHEMBL1249500

C[C@@]12C=CC[C@H]1[C@@H]1CCc3cc(O)ccc3[C@H]1CC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.63
SHBG P04278 5/20 0.62
ESR2 Q92731 8/20 0.61
HSD17B10 Q99714 4/20 0.61
LMNA P02545 4/20 0.61
STS P08842 4/20 0.61
PGR P06401 4/20 0.61
AR P10275 4/20 0.61
SLC6A4 P31645 4/20 0.61
SLC6A3 Q01959 4/20 0.61
SERPINA6 P08185 3/20 0.61
SNCA P37840 3/20 0.61
HIF1A Q16665 3/20 0.61
CYP3A4 P08684 3/20 0.61
HTR2B P41595 3/20 0.61
NR3C1 P04150 3/20 0.61
AKR1B10 O60218 2/20 0.61
CYP1A2 P05177 2/20 0.61
MAPT P10636 2/20 0.61
AKR1B1 P15121 2/20 0.61

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
SCHEMBL29489438 1.00 ESR1 (0.63) ESR1SHBGESR2HSD17B10LMNA
SCHEMBL7867608 1.00 ESR1 (0.63) ESR1SHBGESR2HSD17B10LMNA
Methoxymethane SCHEMBL4279943 0.96 ESR1 (0.60) ESR1SHBGESR2HSD17B10LMNA
SCHEMBL8712230 0.85 ESR1 (0.52) ESR1SHBGESR2HSD17B10LMNA
SCHEMBL10533710 0.85 SRD5A2 (0.57) ESR1SHBGESR2HSD17B10LMNA
SCHEMBL5682148 0.84 LMNA (0.64) ESR1ESR2HSD17B10LMNASTS
SCHEMBL1246984 0.84 LMNA (0.64) ESR1ESR2HSD17B10LMNASTS
SCHEMBL5679838 0.84 LMNA (0.64) ESR1ESR2HSD17B10LMNASTS
SCHEMBL5154685 0.84 LMNA (0.64) ESR1ESR2HSD17B10LMNASTS
SCHEMBL5679791 0.84 LMNA (0.64) ESR1ESR2HSD17B10LMNASTS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2278880-A1 STEROID TREATMENT FOR HOT FLASHES Pherin Pharmaceuticals, Inc. (US) 2011-02-02 EP claimed
US-20100120729-A1 PHEROMONE-CONTAINING COSMETIC AGENTS HENKEL AG & CO. KGAA (DE) 2010-05-13 US claimed
EP-2148650-A2 PHEROMONE-CONTAINING COSMETIC SUBSTANCES Henkel AG & Co. KGaA (DE) 2010-02-03 EP claimed
US-20090258040-A1 STEROID TREATMENT FOR HOT FLASHES PHERIN PHARMACEUTICALS, INC. (US) 2009-10-15 US claimed
WO-2009126825-A1 STEROID TREATMENT FOR HOT FLASHES PHERIN PHARMACEUTICALS, INC. (US) 2009-10-15 WO claimed
WO-2008138651-A2 PHEROMONE-CONTAINING COSMETIC SUBSTANCES HENKEL AG & CO. KGAA (DE) 2008-11-20 WO claimed
US-20070265238-A1 METHOD FOR ACCELERATING REENTRAINMENT OF A CIRCADIAN RHYTHM JECHURA TAMMY 2007-11-15 US claimed
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 claimed
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 claimed
WO-2001041732-A1 COMPOSITIONS AND METHODS FOR INTRANASAL DELIVERY OF ACTIVE AGENTS TO THE BRAIN GORE STANLEY L (CA) 2001-06-14 WO claimed
JP-2000504025-A 2000-04-04 JP claimed
EP-0891188-A1 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH Pherin Pharmaceuticals, Inc. (US) 1999-01-20 EP claimed
EP-0562843-B1 Fragrance compositions and other compositions which contain human pheromones EROX CORP (US) 1998-12-23 EP claimed
US-5783571-A SUBSTITUTED TETRAENE STEROIDS FOR CONTROLLING GLANDULAR FUNCTION PHERIN CORPORATION (US) 1998-07-21 US claimed
EP-0715517-A1 ESTRENE STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN HYPOTHALAMIC FUNCTION AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS PHERIN CORPORATION (US) 1996-06-12 EP claimed
WO-1994028903-A1 ESTRENE STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN HYPOTHALAMIC FUNCTION AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS PHERIN CORPORATION (US) 1994-12-22 WO claimed
US-5278141-A Fragrance compositions containing human pheromones EROX CORPORATION (US) 1994-01-11 US claimed
US-5272134-A Fragrance compositions and other compositions which contain human pheromones EROX CORPORATION (US) 1993-12-21 US claimed
WO-1993018742-A1 FRAGRANCE COMPOSITIONS AND OTHER COMPOSITIONS WHICH CONTAIN HUMAN PHEROMONES EROX CORPORATION (US) 1993-09-30 WO claimed
EP-0562843-A2 Fragrance compositions and other compositions which contain human pheromones EROX CORPORATION (US) 1993-09-29 EP 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 (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-20100120729-A1 PHEROMONE-CONTAINING COSMETIC AGENTS SHBG, KRT18, CYP17A1 ESR1 24/4885SHBG 1/4885ESR2 34/4885
US-20090258040-A1 STEROID TREATMENT FOR HOT FLASHES CYP19A1, SHBG, HSD17B11 ESR1 7/4885SHBG 2/4885ESR2 11/4885

“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.