SCHEMBL514461

SCHEMBL514461

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nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.38
AR P10275 2/20 0.33
ESR2 Q92731 2/20 0.33
MBOAT4 Q96T53 1/20 0.31
ESR1 P03372 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
SCHEMBL512922 0.78 CYP19A1 (0.37) CYP19A1ARESR2
SCHEMBL513648 0.78 CYP19A1 (0.37) CYP19A1ARESR2MBOAT4
SCHEMBL5310140 0.72 CYP19A1 (0.43) CYP19A1MBOAT4
SCHEMBL514561 0.70 CYP17A1 (0.47) CYP19A1ARESR2ESR1
SCHEMBL514460 0.70 CYP19A1 (0.33) CYP19A1MBOAT4
SCHEMBL514560 0.70 CYP19A1 (0.37) CYP19A1
SCHEMBL5308811 0.68 CYP19A1 (0.47) CYP19A1ARESR2MBOAT4ESR1
SCHEMBL5494151 0.67 CYP19A1 (0.48) CYP19A1MBOAT4
SCHEMBL514463 0.67
SCHEMBL5489878 0.66 CYP17A1 (0.42) CYP19A1ARESR2ESR1

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-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 CYP19A1 17/4885AR 174/4885ESR2 67/4885
US-20070077203-A1 Surrogate markers TSG101, RAD50, DNASE1L3 CYP19A1 1330/4885AR 2878/4885ESR2 841/4885
US-20070014719-A1 Steroid analogs and characterization and treatment methods CYP17A1, HSD17B11, HSD3B1 CYP19A1 22/4885AR 125/4885ESR2 41/4885
US-20110085984-A1 Drug Product and Process for Making CYP2D6, CYP3A5, CYP2B6 CYP19A1 76/4885AR 1772/4885ESR2 2971/4885
US-20060073099-A1 Treatment screening methods HSD17B11, HSD3B2, HSD3B1 CYP19A1 6/4885AR 380/4885ESR2 50/4885
US-20070053832-A1 Drug product and process for making CYP2D6, CYP3A5, CYP2B6 CYP19A1 76/4885AR 1772/4885ESR2 2971/4885
US-20070077201-A1 Stem cell expansion and uses NES, CD44, FGF2 CYP19A1 4139/4885AR 1323/4885ESR2 1462/4885
US-20110137057-A1 Unsaturated Steroid Compounds SREBF1, SREBF2, NR1H3 CYP19A1 155/4885AR 296/4885ESR2 93/4885

“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.