SCHEMBL512238

SCHEMBL512238

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)C=C[C@@]43C)[C@@H]1C[C@H](O)[C@@H]2N

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
ESR1 P03372 3/20 0.40
AR P10275 3/20 0.40
ESR2 Q92731 3/20 0.40
SHBG P04278 2/20 0.40
SERPINA6 P08185 2/20 0.40
CYP17A1 P05093 10/20 0.38
TBXAS1 P24557 1/20 0.38
SRD5A2 P31213 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NR3C1 P04150 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP19A1 P11511 3/20 0.37
LMNA P02545 1/20 0.36
G6PD P11413 1/20 0.36

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
SCHEMBL512304 1.00 L3MBTL1 (0.43) L3MBTL1ESR1ARESR2SHBG
SCHEMBL512239 1.00 L3MBTL1 (0.43) L3MBTL1ESR1ARESR2SHBG
SCHEMBL511251 0.90 SHBG (0.42) L3MBTL1ESR1ARESR2SHBG
SCHEMBL5475775 0.90 SHBG (0.42) L3MBTL1ESR1ARESR2SHBG
SCHEMBL6434577 0.90 SHBG (0.42) L3MBTL1ESR1ARESR2SHBG
SCHEMBL511250 0.90 SHBG (0.42) L3MBTL1ESR1ARESR2SHBG
SCHEMBL6436138 0.90 SHBG (0.42) L3MBTL1ESR1ARESR2SHBG
SCHEMBL1418909 0.89 L3MBTL1 (0.42) L3MBTL1ESR1ARESR2SHBG
SCHEMBL4310477 0.89 L3MBTL1 (0.42) L3MBTL1ESR1ARESR2SHBG
SCHEMBL4305112 0.89 L3MBTL1 (0.42) L3MBTL1ESR1ARESR2SHBG

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-1807118-B1 STEROID ANALOGS AND CHARACTERIZATION AND TREATMENT METHODS HARBOR BIOSCIENCES INC (US) 2014-03-12 EP disclosed
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-20070077201-A1 Stem cell expansion and uses BIOVIE INC. 2007-04-05 US disclosed
US-20070077203-A1 Surrogate markers 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 L3MBTL1 909/4885ESR1 216/4885AR 174/4885
US-20070077203-A1 Surrogate markers TSG101, RAD50, DNASE1L3 L3MBTL1 145/4885ESR1 2235/4885AR 2878/4885
US-20070014719-A1 Steroid analogs and characterization and treatment methods CYP17A1, HSD17B11, HSD3B1 L3MBTL1 4328/4885ESR1 151/4885AR 125/4885
US-20110085984-A1 Drug Product and Process for Making CYP2D6, CYP3A5, CYP2B6 L3MBTL1 4597/4885ESR1 1904/4885AR 1772/4885
US-20060073099-A1 Treatment screening methods HSD17B11, HSD3B2, HSD3B1 L3MBTL1 1736/4885ESR1 171/4885AR 380/4885
US-20070053832-A1 Drug product and process for making CYP2D6, CYP3A5, CYP2B6 L3MBTL1 4597/4885ESR1 1904/4885AR 1772/4885
US-20070077201-A1 Stem cell expansion and uses NES, CD44, FGF2 L3MBTL1 763/4885ESR1 3555/4885AR 1323/4885
US-20110137057-A1 Unsaturated Steroid Compounds SREBF1, SREBF2, NR1H3 L3MBTL1 1112/4885ESR1 291/4885AR 296/4885

“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.