SCHEMBL514562

SCHEMBL514562

C=CCC1CC[C@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.64
CYP17A1 P05093 3/20 0.51
CYP1B1 Q16678 1/20 0.50
SRD5A1 P18405 1/20 0.48
SRD5A2 P31213 1/20 0.48
TBXAS1 P24557 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
AR P10275 2/20 0.45
ESR2 Q92731 2/20 0.45
ESR1 P03372 1/20 0.45
SHBG P04278 1/20 0.45
SERPINA6 P08185 1/20 0.45

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
SCHEMBL5489879 0.89 CYP19A1 (0.61) CYP19A1CYP17A1CYP1B1SRD5A1SRD5A2
SCHEMBL11054839 0.89 CYP19A1 (0.64) CYP19A1CYP17A1CYP1B1SRD5A1SRD5A2
SCHEMBL5676587 0.86 CYP19A1 (0.70) CYP19A1CYP17A1CYP1B1SRD5A1SRD5A2
SCHEMBL606838 0.86 CYP19A1 (0.70) CYP19A1CYP17A1CYP1B1SRD5A1SRD5A2
SCHEMBL3130653 0.85 CYP17A1 (0.69) CYP19A1CYP17A1CYP1B1SRD5A2AR
SCHEMBL27648561 0.85 CYP17A1 (0.69) CYP19A1CYP17A1CYP1B1SRD5A2AR
SCHEMBL11740332 0.84 CYP19A1 (0.67) CYP19A1CYP17A1CYP1B1SRD5A1SRD5A2
SCHEMBL3132563 0.83 CYP19A1 (0.69) CYP19A1CYP17A1CYP1B1SRD5A1SRD5A2
SCHEMBL26964891 0.83 CYP19A1 (0.69) CYP19A1CYP17A1CYP1B1SRD5A1SRD5A2
SCHEMBL11054544 0.83 CYP19A1 (0.65) CYP19A1CYP17A1CYP1B1SRD5A1SRD5A2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070077201-A1 Stem cell expansion and uses BIOVIE INC. 2007-04-05 US claimed
US-20150353596-A1 17-Substituted Steroid Compounds HOLLIS-EDEN PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9115168-B2 Steroids having 7-oxygen and 17-heteroaryl substitution-3 NEURMEDIX, INC. (US) 2015-08-25 US disclosed
US-9102702-B2 Steroids having 7-oxygen and 17-heteroaryl substitution-2 NEURMEDIX INC. (US) 2015-08-11 US disclosed
US-20140018337-A1 Steroids Having 7-Oxygen and 17-Heteroaryl Substitution-3 Harbor Therapeutics, Inc. (US) 2014-01-16 US disclosed
US-20140018336-A1 Steroids Having 7-Oxygen and 17-Heteroaryl Substitution-2 Harbor Therapeutics, Inc. (US) 2014-01-16 US disclosed
US-8569275-B2 Steroids having 7-oxgen and 17-heteroaryl substitution Harbor Therapeutics, Inc. (US) 2013-10-29 US disclosed
US-20120029260-A1 Screening and Treatment Method BIOVIE INC. 2012-02-02 US disclosed
US-20110212935-A1 COMPOSITIONS AND TREATMENT METHODS-4 HARBOR BIOSCIENCES, INC. (US) 2011-09-01 US disclosed
US-7935839-B2 Sepsis treatment methods HARBOR BIOSCIENCES, INC. (US) 2011-05-03 US disclosed
EP-1539183-A4 THERAPEUTIC TREATMENT METHODS HOLLIS EDEN PHARMACEUTICALS (US) 2007-04-25 EP 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-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
EP-1539183-A1 THERAPEUTIC TREATMENT METHODS Hollis-Eden Pharmaceuticals Inc. (US) 2005-06-15 EP disclosed
US-20050101581-A1 Therapeutic treatment methods 2 BIOVIE INC. 2005-05-12 US disclosed
US-20040138187-A1 Therapeutic treatment methods BIOVIE INC. 2004-07-15 US disclosed
WO-2004019953-A1 THERAPEUTIC TREATMENT METHODS HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2004-03-11 WO 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 (11 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-20110212935-A1 COMPOSITIONS AND TREATMENT METHODS-4 HSD3B1, HSD3B2, HSD17B13 CYP19A1 46/4885CYP17A1 14/4885CYP1B1 101/4885
US-20060088473-A1 Treatment screening methods HSD3B1, HSD3B2, HSD17B11 CYP19A1 17/4885CYP17A1 6/4885CYP1B1 261/4885
US-20150353596-A1 17-Substituted Steroid Compounds HSD3B1, HSD3B2, HSD17B13 CYP19A1 28/4885CYP17A1 7/4885CYP1B1 80/4885
US-20070077203-A1 Surrogate markers TSG101, RAD50, DNASE1L3 CYP19A1 1330/4885CYP17A1 2911/4885CYP1B1 2561/4885
US-20140018336-A1 Steroids Having 7-Oxygen and 17-Heteroaryl Substitution-2 HSD3B1, HSD3B2, HSD17B13 CYP19A1 33/4885CYP17A1 8/4885CYP1B1 69/4885
US-20140018337-A1 Steroids Having 7-Oxygen and 17-Heteroaryl Substitution-3 HSD3B1, HSD3B2, HSD17B13 CYP19A1 31/4885CYP17A1 7/4885CYP1B1 71/4885
US-20060073099-A1 Treatment screening methods HSD17B11, HSD3B2, HSD3B1 CYP19A1 6/4885CYP17A1 7/4885CYP1B1 208/4885
US-20070053832-A1 Drug product and process for making CYP2D6, CYP3A5, CYP2B6 CYP19A1 76/4885CYP17A1 578/4885CYP1B1 31/4885
US-20050101581-A1 Therapeutic treatment methods 2 HSD3B2, HSD3B1, HSD17B2 CYP19A1 58/4885CYP17A1 14/4885CYP1B1 150/4885
US-20040138187-A1 Therapeutic treatment methods ELANE, ALOX15, IL15 CYP19A1 71/4885CYP17A1 19/4885CYP1B1 293/4885
US-20070077201-A1 Stem cell expansion and uses NES, CD44, FGF2 CYP19A1 4139/4885CYP17A1 2585/4885CYP1B1 4754/4885

“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.