SCHEMBL2186022

SCHEMBL2186022

C[C@]12C=CC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.55
AKR1B10 O60218 2/20 0.55
AKR1B1 P15121 2/20 0.55
OR51E2 Q9H255 1/20 0.55
LMNA P02545 5/20 0.50
CYP3A4 P08684 4/20 0.50
SHBG P04278 4/20 0.50
SERPINA6 P08185 4/20 0.50
GPBAR1 Q8TDU6 4/20 0.50
MAPK1 P28482 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HSD17B3 P37058 3/20 0.50
PMP22 Q01453 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SNCA P37840 2/20 0.50
BLM P54132 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HSD17B10 Q99714 2/20 0.50

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
SCHEMBL1287861 1.00 CYP19A1 (0.55) CYP19A1AKR1B10AKR1B1OR51E2LMNA
SCHEMBL9512557 1.00 CYP19A1 (0.55) CYP19A1AKR1B10AKR1B1OR51E2LMNA
SCHEMBL12857149 1.00 CYP19A1 (0.55) CYP19A1AKR1B10AKR1B1OR51E2LMNA
SCHEMBL1287860 1.00 CYP19A1 (0.55) CYP19A1AKR1B10AKR1B1OR51E2LMNA
Water SCHEMBL27940020 0.99 CYP19A1 (0.54) CYP19A1AKR1B10AKR1B1OR51E2LMNA
Hydrogen Peroxide SCHEMBL27824496 0.97 CYP19A1 (0.53) CYP19A1AKR1B10AKR1B1OR51E2LMNA
Acetic Acid SCHEMBL31729653 0.94 CYP19A1 (0.50) CYP19A1AKR1B10AKR1B1OR51E2LMNA
Sulfuric Acid SCHEMBL5532907 0.94 CYP19A1 (0.50) CYP19A1AKR1B10AKR1B1OR51E2LMNA
SCHEMBL29757161 0.85 GRIN1 (0.43) CYP19A1AKR1B10AKR1B1OR51E2LMNA
SCHEMBL874928 0.84 CYP19A1 (0.52) CYP19A1AKR1B10AKR1B1OR51E2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210346385-A1 TASTE-MASKED DOSAGE FORMS DEEP OCEAN CAPITAL MANAGEMENT LP 2021-11-11 US disclosed
WO-2020061584-A1 TASTE-MASKED DOSAGE FORMS MSB HOLDINGS, INC. (US) 2020-03-26 WO disclosed
EP-3172566-B1 SAMPLE ANALYSING DEVICE INTELLIGENT FINGERPRINTING LTD (GB) 2019-10-16 EP disclosed
US-20170307605-A1 SAMPLE ANALYSING DEVICE INTELLIGENT FINGERPRINTING LIMITED (GB) 2017-10-26 US disclosed
EP-3172566-A1 SAMPLE ANALYSING DEVICE Intelligent Fingerprinting Limited (GB) 2017-05-31 EP disclosed
WO-2016012812-A1 SAMPLE ANALYSING DEVICE INTELLIGENT FINGERPRINTING LIMITED (GB) 2016-01-28 WO disclosed
US-20160008376-A1 Compositions, Methods and Uses for Treating Gender-Biased Immune Disorders BIOCOPEA LIMITED (GB) 2016-01-14 US disclosed
WO-2016005599-A1 COMPOSITIONS, METHODS AND USES FOR TREATING GENDER-BIASED IMMUNE DISORDERS BIOCOPEA LIMITED (GB) 2016-01-14 WO disclosed
US-20150152348-A1 SYSTEMS AND METHODS FOR COLLECTING, TRANSPORTING AND REPURPOSING OR DESTROYING UNUSED PHARMACEUTICALS SHARPS COMPLIANCE, INC. OF TEXAS 2015-06-04 US disclosed
US-8455264-B2 Fluorescence based detection of substances INTELLIGENT FINGERPRINTING LIMITED (GB) 2013-06-04 US disclosed
US-20080207601-A1 Methods of and Compositions For the Prevention of Anxiety, Substance Abuse, and Dependence HYTHIAM , INC. (US) 2008-08-28 US disclosed
US-20030134828-A1 Composition and method for increasing in vivo androgen concentration ROBERTS WILLIAM J (US) 2003-07-17 US disclosed
US-6391868-B2 Use of 5-alpha-androst-1-en-3,17-dione to increase the level of the anabolic/androgenic hormone 17-beta-hydroxy-5-alpha-androst-1-en-3-one in humans LPT RESEARCH, INC. 2002-05-21 US disclosed
US-20010056087-A1 Use of 5alpha-androst-1en-3,17-diol to increase the level of the anabolic/androgenic hormone 17beta-hydroxy-5alpha-androst-1-en-3-one in humans ARNOLD PATRICK (US) 2001-12-27 US disclosed
US-20010041698-A1 Use of 5alpha -androst-1-en-3,17-dione to increase the level of the anabolic/androgenic hormone 17beta-hydroxy-5alpha-androst-1-en-3-one in humans ARNOLD PATRICK (US) 2001-11-15 US disclosed
US-4904650-A Substituted androsta-1,4-diene-3,17-diones FARMITALIA CARLO ERBA S.P.A. (IT) 1990-02-27 US disclosed
US-4808616-A 6-substituted androsta-1,4-diene-3,17-diones FARMITALIA CARLO ERBA S.R.L. (IT) 1989-02-28 US disclosed
US-4139717-A 1,3-Dicarbonyl compounds TEIJIN LIMITED (JP) 1979-02-13 US disclosed
US-4009196-A HYPOTENSIVE AGENTS, BRONCHODILATORS, PROSTAGLANDIN ANALOGS TEIJIN LIMITED (JA) 1977-02-22 US disclosed
US-3931154-A Process for the preparation of steroid oxiranes SCHERING AKTIENGESELLSCHAFT (DT) 1976-01-06 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 (1 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-20030134828-A1 Composition and method for increasing in vivo androgen concentration SHBG, CYP21A2, CYP19A1 CYP19A1 3/4885AKR1B10 139/4885AKR1B1 110/4885

“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.