SCHEMBL512336

SCHEMBL512336

C[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](F)[C@@H]2N

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.36
CYP1B1 Q16678 1/20 0.36
SRD5A2 P31213 3/20 0.35
CYP17A1 P05093 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
G6PD P11413 1/20 0.33
AR P10275 1/20 0.32
SRD5A1 P18405 1/20 0.32

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
SCHEMBL512337 1.00 CYP19A1 (0.36) CYP19A1CYP1B1SRD5A2CYP17A1L3MBTL1
SCHEMBL511066 0.82 CYP3A4 (0.43) CYP19A1CYP17A1CYP3A4MAPT
SCHEMBL511065 0.82 CYP3A4 (0.43) CYP19A1CYP17A1CYP3A4MAPT
SCHEMBL513011 0.81 L3MBTL1 (0.36) CYP19A1CYP1B1SRD5A2CYP17A1L3MBTL1
SCHEMBL5572192 0.79 L3MBTL1 (0.38) CYP19A1CYP1B1SRD5A2CYP17A1L3MBTL1
SCHEMBL5574814 0.79 L3MBTL1 (0.38) CYP19A1CYP1B1SRD5A2CYP17A1L3MBTL1
SCHEMBL1502021 0.79 SHBG (0.39) CYP19A1AR
SCHEMBL1502023 0.79 SHBG (0.39) CYP19A1AR
SCHEMBL1418909 0.78 L3MBTL1 (0.42) CYP19A1SRD5A2CYP17A1L3MBTL1AR
SCHEMBL4310477 0.78 L3MBTL1 (0.42) CYP19A1SRD5A2CYP17A1L3MBTL1AR

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 CYP19A1 17/4885CYP1B1 261/4885SRD5A2 25/4885
US-20070077203-A1 Surrogate markers TSG101, RAD50, DNASE1L3 CYP19A1 1330/4885CYP1B1 2561/4885SRD5A2 3610/4885
US-20070014719-A1 Steroid analogs and characterization and treatment methods CYP17A1, HSD17B11, HSD3B1 CYP19A1 22/4885CYP1B1 146/4885SRD5A2 25/4885
US-20110085984-A1 Drug Product and Process for Making CYP2D6, CYP3A5, CYP2B6 CYP19A1 76/4885CYP1B1 31/4885SRD5A2 603/4885
US-20060073099-A1 Treatment screening methods HSD17B11, HSD3B2, HSD3B1 CYP19A1 6/4885CYP1B1 208/4885SRD5A2 25/4885
US-20070053832-A1 Drug product and process for making CYP2D6, CYP3A5, CYP2B6 CYP19A1 76/4885CYP1B1 31/4885SRD5A2 603/4885
US-20070077201-A1 Stem cell expansion and uses NES, CD44, FGF2 CYP19A1 4139/4885CYP1B1 4754/4885SRD5A2 3409/4885
US-20110137057-A1 Unsaturated Steroid Compounds SREBF1, SREBF2, NR1H3 CYP19A1 155/4885CYP1B1 1225/4885SRD5A2 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.