SCHEMBL513487

SCHEMBL513487

C=CCC1CC[C@H]2[C@@H]3CCC4NCCC[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.34
UGT2B7 P16662 2/20 0.33
SRD5A2 P31213 2/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
AR P10275 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL11482161 0.78 CYP19A1 (0.48) GRIN1GRIN2B
SCHEMBL11327393 0.78 CYP19A1 (0.48) GRIN1GRIN2B
SCHEMBL6925265 0.78 CYP19A1 (0.48) GRIN1GRIN2B
SCHEMBL3957308 0.77 SRD5A1 (0.59) SRD5A1SRD5A2AR
SCHEMBL4880617 0.77 SRD5A1 (0.59) SRD5A1SRD5A2AR
SCHEMBL15121547 0.76 SRD5A1 (0.38) SRD5A1SRD5A2
SCHEMBL3869928 0.76 SRD5A1 (0.38) SRD5A1SRD5A2
SCHEMBL3869935 0.76 SRD5A1 (0.38) SRD5A1SRD5A2
SCHEMBL513488 0.75 CDK5 (0.33)
SCHEMBL8079488 0.73 SRD5A2 (0.37) SRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586770-B2 Unsaturated steroid compounds Harbor Therapeutics, Inc. (US) 2013-11-19 US disclosed
EP-2471536-A1 STEROID ANALOGS AND CHARACTERIZATION AND TREATMENT METHODS Harbor BioSciences, Inc. (US) 2012-07-04 EP disclosed
US-20120029260-A1 Screening and Treatment Method BIOVIE INC. 2012-02-02 US disclosed
US-20110137057-A1 Unsaturated Steroid Compounds BIOVIE INC. 2011-06-09 US disclosed
US-20110085984-A1 Drug Product and Process for Making BIOVIE INC. 2011-04-14 US disclosed
US-7910755-B2 Stem cell expansion and uses HARBOR BIOSCIENCES, INC. (US) 2011-03-22 US disclosed
EP-1807118-A2 STEROID ANALOGS AND CHARACTERIZATION AND TREATMENT METHODS Hollis-Eden Pharmaceuticals Inc. (US) 2007-07-18 EP disclosed
US-20070077203-A1 Surrogate markers BIOVIE INC. 2007-04-05 US disclosed
US-20070077201-A1 Stem cell expansion and uses BIOVIE INC. 2007-04-05 US disclosed
WO-2007030124-A2 TREATMENT SCREENING METHODS HOLLIS-EDEN PHARMACEUTICALS, INC (US) 2007-03-15 WO disclosed
US-20070053832-A1 Drug product and process for making BIOVIE INC. 2007-03-08 US disclosed
US-20070014719-A1 Steroid analogs and characterization and treatment methods BIOVIE INC. 2007-01-18 US disclosed
WO-2006110172-A2 STEROID ANALOGS AND CHARACTERIZATION AND TREATMENT METHODS HOLLIS-EDEN PHARMACEUTICALS.INC. (US) 2006-10-19 WO disclosed
US-20060088473-A1 Treatment screening methods BIOVIE INC. 2006-04-27 US disclosed
US-20060073099-A1 Treatment screening methods BIOVIE INC. 2006-04-06 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 (8 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-20060088473-A1 Treatment screening methods HSD3B1, HSD3B2, HSD17B11 SRD5A1 31/4885UGT2B7 190/4885SRD5A2 25/4885
US-20070077203-A1 Surrogate markers TSG101, RAD50, DNASE1L3 SRD5A1 3667/4885UGT2B7 2716/4885SRD5A2 3610/4885
US-20070014719-A1 Steroid analogs and characterization and treatment methods CYP17A1, HSD17B11, HSD3B1 SRD5A1 28/4885UGT2B7 410/4885SRD5A2 25/4885
US-20110085984-A1 Drug Product and Process for Making CYP2D6, CYP3A5, CYP2B6 SRD5A1 716/4885UGT2B7 22/4885SRD5A2 603/4885
US-20060073099-A1 Treatment screening methods HSD17B11, HSD3B2, HSD3B1 SRD5A1 29/4885UGT2B7 214/4885SRD5A2 25/4885
US-20070053832-A1 Drug product and process for making CYP2D6, CYP3A5, CYP2B6 SRD5A1 716/4885UGT2B7 22/4885SRD5A2 603/4885
US-20070077201-A1 Stem cell expansion and uses NES, CD44, FGF2 SRD5A1 3288/4885UGT2B7 3279/4885SRD5A2 3409/4885
US-20110137057-A1 Unsaturated Steroid Compounds SREBF1, SREBF2, NR1H3 SRD5A1 69/4885UGT2B7 2368/4885SRD5A2 79/4885

“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.