SCHEMBL7097095

SCHEMBL7097095

C=C1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.78
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
SHBG P04278 2/20 0.49
SERPINA6 P08185 2/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B3 P37058 2/20 0.49
SNCA P37840 2/20 0.49
BLM P54132 2/20 0.49
PMP22 Q01453 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
CYP17A1 P05093 1/20 0.47

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
SCHEMBL6821320 1.00 CYP19A1 (0.78) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL2600419 0.87 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL42712 0.87 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL42713 0.87 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL7884439 0.84 CYP19A1 (0.70) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL1900489 0.81 CYP19A1 (0.70) CYP19A1ALDH1A1MAPK1BLMPMP22
SCHEMBL1900487 0.81 CYP19A1 (0.70) CYP19A1ALDH1A1MAPK1BLMPMP22
SCHEMBL5432268 0.80 CYP19A1 (0.68) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL7884266 0.80 CYP19A1 (0.68) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL8980163 0.80 CYP19A1 (0.68) CYP19A1ALDH1A1LMNASHBGSERPINA6

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 17 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-20020143001-A1 Androstane steroids as neurochemical initiators of change in human hypothalamic function and related pharmaceutical compositions and methods BERLINER, MARTHA 2002-10-03 US claimed
EP-0711169-A4 ANDROSTANE STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN HYPOTHALAMIC FUNCTION AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS PHERIN CORP (US) 2000-05-31 EP claimed
EP-0711169-A1 ANDROSTANE STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN HYPOTHALAMIC FUNCTION AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS PHERIN CORPORATION (US) 1996-05-15 EP claimed
WO-1994028904-A1 ANDROSTANE STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN HYPOTHALAMIC FUNCTION AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS PHERIN CORPORATION (US) 1994-12-22 WO claimed
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 disclosed
US-20020143001-A1 Androstane steroids as neurochemical initiators of change in human hypothalamic function and related pharmaceutical compositions and methods BERLINER, MARTHA 2002-10-03 US disclosed
US-20020103391-A1 Novel androstanes for inducing hypothalamic effects BERLINER DAVID L (US) 2002-08-01 US disclosed
EP-0711169-A4 ANDROSTANE STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN HYPOTHALAMIC FUNCTION AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS PHERIN CORP (US) 2000-05-31 EP disclosed
US-5969168-A STIMULATE AUTONOMIC ACTIVITY PHERIN CORPORATION (US) 1999-10-19 US disclosed
US-5965552-A ADMINISTERING ANDROSTA-4,16-DIEN-3-OL FOR TREATING TENSION, REDUCING ANXIETY; ADMINISTERING TO THE VOMERONASAL ORGAN OF INDIVIDUAL PHERIN PHARMACEUTICALS, INC. (US) 1999-10-12 US disclosed
US-5883087-A ADMINISTERING TO THE VOMERONASAL ORGAN OF SAID INDIVIDUAL ANDROSTA-4,16-DIEN-3.BETA.-OL. PHERIN CORPORATION (US) 1999-03-16 US disclosed
EP-0783512-A4 NOVEL ANDROSTANES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN CORP (US) 1998-09-02 EP disclosed
EP-0783512-A1 NOVEL ANDROSTANES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN CORPORATION (US) 1997-07-16 EP disclosed
EP-0711169-A1 ANDROSTANE STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN HYPOTHALAMIC FUNCTION AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS PHERIN CORPORATION (US) 1996-05-15 EP disclosed
WO-1996010031-A1 NOVEL ANDROSTANES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN CORPORATION (US) 1996-04-04 WO disclosed
WO-1994028904-A1 ANDROSTANE STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN HYPOTHALAMIC FUNCTION AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS PHERIN CORPORATION (US) 1994-12-22 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 (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-20020143001-A1 Androstane steroids as neurochemical initiators of change in human hypothalamic function and related pharmaceutical compositions and methods SHBG, NR5A1, MC2R CYP19A1 10/4885ALDH1A1 1060/4885LMNA 4128/4885
US-20020103391-A1 Novel androstanes for inducing hypothalamic effects FABP7, NR3C2, NR3C1 CYP19A1 109/4885ALDH1A1 2386/4885LMNA 4707/4885

“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.