SCHEMBL4281671

SCHEMBL4281671

C[C@@]12C=CC[C@H]1[C@@H]1C[C@H](O)c3cc(O)ccc3[C@H]1CC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.63
LMNA P02545 2/20 0.63
MAPK1 P28482 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
CYP19A1 P11511 13/20 0.50
ESR2 Q92731 3/20 0.45
ALDH1A1 P00352 1/20 0.44
NR1I3 Q14994 1/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
NR3C1 P04150 1/20 0.42
SHBG P04278 1/20 0.42
PGR P06401 1/20 0.42
SERPINA6 P08185 1/20 0.42
AR P10275 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A4 P31645 1/20 0.42
SNCA P37840 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL6899123 1.00 ESR1 (0.63) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL2835305 1.00 ESR1 (0.63) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL7707677 0.82 ESR1 (0.48) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL2832847 0.82 ESR1 (0.48) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL2832843 0.82 ESR1 (0.48) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL6899294 0.82 ESR1 (0.48) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL1249500 0.79 ESR1 (0.63) ESR1LMNASMN1; SMN2CYP19A1ESR2
SCHEMBL7867608 0.79 ESR1 (0.63) ESR1LMNASMN1; SMN2CYP19A1ESR2
SCHEMBL29489438 0.79 ESR1 (0.63) ESR1LMNASMN1; SMN2CYP19A1ESR2
SCHEMBL1332731 0.78 ESR1 (1.00) ESR1LMNAMAPK1SMN1; SMN2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258040-A1 STEROID TREATMENT FOR HOT FLASHES PHERIN PHARMACEUTICALS, INC. (US) 2009-10-15 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
EP-0715517-A4 ESTRENE STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN HYPOTHALAMIC FUNCTION AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS PHERIN CORP (US) 2000-10-11 EP claimed
US-6117860-A NASALLY ADMINISTERING STEROID WHICH BINDS TO A SPECIFIC NEUROEPITHELIAL RECEPTOR FOR ALLEVIATING PREMENSTRUAL TENSION AND ANXIETY PHERIN PHARMACEUTICALS, INC. (US) 2000-09-12 US claimed
US-6066627-A ALTERING BLOOD CONCNETRATION OF LUTEINIZING HORMONE PHERIN CORPORATION (US) 2000-05-23 US 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
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-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 (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-20090258040-A1 STEROID TREATMENT FOR HOT FLASHES CYP19A1, SHBG, HSD17B11 ESR1 7/4885LMNA 2321/4885MAPK1 4321/4885

“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.