SCHEMBL5596443

SCHEMBL5596443

COC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.77
LMNA P02545 8/20 0.77
MAPT P10636 6/20 0.77
TSHR P16473 5/20 0.77
NR3C1 P04150 4/20 0.77
PGR P06401 4/20 0.77
AR P10275 4/20 0.77
NR1I2 O75469 3/20 0.77
CYP2C9 P11712 3/20 0.77
CYP17A1 P05093 3/20 0.77
CYP2C19 P33261 2/20 0.77
OPRK1 P41145 1/20 0.77
CYP19A1 P11511 3/20 0.76
HSD17B10 Q99714 4/20 0.67
SHBG P04278 4/20 0.67
SERPINA6 P08185 4/20 0.67
MAPK1 P28482 4/20 0.67
GPBAR1 Q8TDU6 3/20 0.67
SIGMAR1 Q99720 3/20 0.67
SNCA P37840 2/20 0.67

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
SCHEMBL24102454 1.00 CYP3A4 (0.77) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL5026074 1.00 CYP3A4 (0.77) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL5026185 1.00 CYP3A4 (0.77) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL24102479 1.00 CYP3A4 (0.77) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL8814296 0.98 CYP3A4 (0.80) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL6442894 0.91 CYP3A4 (0.80) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL24102393 0.90 CYP3A4 (0.86) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL24102394 0.90 CYP3A4 (0.86) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL9664215 0.90 CYP3A4 (0.79) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL4617560 0.90 CYP3A4 (0.79) CYP3A4LMNAMAPTTSHRNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050159366-A1 Pharmaceutical compositions and treatment methods - 8 BIOVIE INC. 2005-07-21 US claimed
US-8722652-B2 Acute treatment of social phobia PHERIN PHARMACEUTICALS, INC. (US) 2014-05-13 US disclosed
US-20130172305-A1 Acute Treatment of Social Phobia PHERIN PHARMACEUTICALS, INC. 2013-07-04 US disclosed
EP-1957121-B1 ACUTE TREATMENT OF SOCIAL PHOBIA WITH AN ANDROSTA-4,16-DIEN-3-OL STEROID PHERIN PHARM INC (US) 2012-12-12 EP disclosed
US-8309539-B2 Acute treatment of social phobia PHERIN PHARMACEUTICALS, INC. (US) 2012-11-13 US disclosed
US-20070059249-A1 Acute treatment of social phobia PHERIN PHARMACEUTICALS, INC. 2007-03-15 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 (3 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-20130172305-A1 Acute Treatment of Social Phobia NR3C2, OR10J3, HSD3B1 CYP3A4 707/4885LMNA 3045/4885MAPT 3713/4885
US-20070059249-A1 Acute treatment of social phobia NR3C2, OR10J3, HSD3B1 CYP3A4 712/4885LMNA 3032/4885MAPT 3690/4885
US-20050159366-A1 Pharmaceutical compositions and treatment methods - 8 HSD17B7, NR5A1, HSD3B1 CYP3A4 144/4885LMNA 4071/4885MAPT 2579/4885

“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.