SCHEMBL6899595

SCHEMBL6899595

C=C1CC[C@H]2[C@@H]3CC=C4C=C(OC)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
AR P10275 1/20 0.46
ESR2 Q92731 1/20 0.46
CYP19A1 P11511 2/20 0.43
SRD5A2 P31213 13/20 0.43
SRD5A1 P18405 3/20 0.39

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
SCHEMBL7100236 1.00 ESR1 (0.46) ESR1ARESR2CYP19A1SRD5A2
SCHEMBL6899597 1.00 ESR1 (0.46) ESR1ARESR2CYP19A1SRD5A2
SCHEMBL1044379 0.86 CYP19A1 (0.60) CYP19A1SRD5A2
SCHEMBL8245517 0.86 CYP19A1 (0.60) CYP19A1SRD5A2
SCHEMBL5310190 0.86 CYP19A1 (0.60) CYP19A1SRD5A2
SCHEMBL9623706 0.83 ESR1 (0.44) ESR1ARESR2CYP19A1SRD5A2
SCHEMBL10444899 0.83 ESR1 (0.44) ESR1ARESR2CYP19A1SRD5A2
SCHEMBL15079256 0.83 ESR1 (0.44) ESR1ARESR2CYP19A1SRD5A2
SCHEMBL8818873 0.83 ESR1 (0.49) ESR1ARESR2CYP19A1SRD5A2
SCHEMBL10380160 0.82 ESR1 (0.45) ESR1ARESR2CYP19A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1340502-A2 Androstane steroids as neurochemical initiators of change in human hypothalamic function and related pharmaceutical compositions and methods PHERIN CORPORATION (US) 2003-09-03 EP claimed
US-20020103391-A1 Novel androstanes for inducing hypothalamic effects BERLINER DAVID L (US) 2002-08-01 US claimed
US-5969168-A STIMULATE AUTONOMIC ACTIVITY PHERIN CORPORATION (US) 1999-10-19 US claimed
EP-0783512-A4 NOVEL ANDROSTANES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN CORP (US) 1998-09-02 EP claimed
EP-0783512-A1 NOVEL ANDROSTANES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN CORPORATION (US) 1997-07-16 EP claimed
WO-1996010031-A1 NOVEL ANDROSTANES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN CORPORATION (US) 1996-04-04 WO 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 disclosed
US-20020103391-A1 Novel androstanes for inducing hypothalamic effects BERLINER DAVID L (US) 2002-08-01 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
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 disclosed
US-6066627-A ALTERING BLOOD CONCNETRATION OF LUTEINIZING HORMONE PHERIN CORPORATION (US) 2000-05-23 US disclosed
US-6057439-A EPOXYSTEROIDS PHERIN CORPORATION (US) 2000-05-02 US disclosed
US-5969168-A STIMULATE AUTONOMIC ACTIVITY PHERIN CORPORATION (US) 1999-10-19 US disclosed
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 disclosed
WO-1998014194-A9 STEROIDS AS NEUROCHEMICAL STIMULATORS OF THE VNO TO ALLEVIATE SYMPTOMS OF ANXIETY 1998-08-27 WO disclosed
WO-1997036596-A9 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH 1997-12-04 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-20020103391-A1 Novel androstanes for inducing hypothalamic effects FABP7, NR3C2, NR3C1 ESR1 265/4885AR 178/4885ESR2 110/4885

“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.