SCHEMBL513488

SCHEMBL513488

C=CCC[C@@]12CCC[C@H]1[C@@H]1CCC3NCCC[C@]3(C)[C@H]1CC2

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
NR1I3 Q14994 1/20 0.30

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
SCHEMBL536894 0.77 CDK5 (0.49) CDK5CDK5R1NR1I3
SCHEMBL994646 0.77 CDK5 (0.49) CDK5CDK5R1NR1I3
SCHEMBL994647 0.77 CDK5 (0.49) CDK5CDK5R1NR1I3
SCHEMBL513487 0.75 SRD5A1 (0.34)
SCHEMBL3869928 0.68 SRD5A1 (0.38) CDK5CDK5R1
SCHEMBL3869935 0.68 SRD5A1 (0.38) CDK5CDK5R1
SCHEMBL15121547 0.68 SRD5A1 (0.38) CDK5CDK5R1
SCHEMBL30620065 0.67 CYP19A1 (0.47) CDK5CDK5R1NR1I3
SCHEMBL8240892 0.66 CYP19A1 (0.39) CDK5CDK5R1NR1I3
SCHEMBL17487194 0.65 CDK5 (0.45) CDK5CDK5R1NR1I3

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 CDK5 1078/4885CDK5R1 1017/4885NR1I3 229/4885
US-20070077203-A1 Surrogate markers TSG101, RAD50, DNASE1L3 CDK5 2695/4885CDK5R1 2037/4885NR1I3 1446/4885
US-20070014719-A1 Steroid analogs and characterization and treatment methods CYP17A1, HSD17B11, HSD3B1 CDK5 2665/4885CDK5R1 1731/4885NR1I3 375/4885
US-20110085984-A1 Drug Product and Process for Making CYP2D6, CYP3A5, CYP2B6 CDK5 878/4885CDK5R1 1736/4885NR1I3 2081/4885
US-20060073099-A1 Treatment screening methods HSD17B11, HSD3B2, HSD3B1 CDK5 831/4885CDK5R1 693/4885NR1I3 313/4885
US-20070053832-A1 Drug product and process for making CYP2D6, CYP3A5, CYP2B6 CDK5 878/4885CDK5R1 1736/4885NR1I3 2081/4885
US-20070077201-A1 Stem cell expansion and uses NES, CD44, FGF2 CDK5 1571/4885CDK5R1 1017/4885NR1I3 1723/4885
US-20110137057-A1 Unsaturated Steroid Compounds SREBF1, SREBF2, NR1H3 CDK5 697/4885CDK5R1 614/4885NR1I3 195/4885

“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.