SCHEMBL5795602

SCHEMBL5795602

CCCCCCC(CC)(CCCCC(CCCCCC)(C(=O)O)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)CCCCCC)C(CCCCCC)(CCCCCC)CCCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
GGPS1 O95749 1/20 0.33
GPR84 Q9NQS5 7/20 0.32
PPARG P37231 7/20 0.32
PPARD Q03181 7/20 0.32
PPARA Q07869 7/20 0.32
HDAC11 Q96DB2 5/20 0.32
TSHR P16473 4/20 0.32
PTPN1 P18031 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TLR2 O60603 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
FABP4 P15090 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
MEN1 O00255 1/20 0.32
ESR1 P03372 1/20 0.32
ALOX15 P16050 1/20 0.32
PDE4A P27815 1/20 0.32
KMT2A Q03164 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
SCHEMBL5178373 0.94 CES2 (0.38) CES2GGPS1GPR84PPARGPPARD
SCHEMBL5179328 0.92 CES2 (0.39) CES2GGPS1GPR84PPARGPPARD
SCHEMBL4057603 0.92 CES2 (0.39) CES2GGPS1GPR84PPARGPPARD
SCHEMBL5983660 0.92 CES2 (0.39) CES2GGPS1GPR84PPARGPPARD
SCHEMBL2682265 0.92 CES2 (0.39) CES2GGPS1GPR84PPARGPPARD
SCHEMBL5665231 0.92 CES2 (0.39) CES2GGPS1GPR84PPARGPPARD
SCHEMBL9274885 0.90 CES2 (0.36) CES2GGPS1GPR84PPARGPPARD
Acetic Acid SCHEMBL9376014 0.88 MEN1 (0.35) CES2GGPS1GPR84PPARGPPARD
Acetic Acid SCHEMBL4292824 0.88 MEN1 (0.35) CES2GGPS1GPR84PPARGPPARD
SCHEMBL15572971 0.87 CES2 (0.40) CES2GGPS1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3194417-B1 ENT-19-NORPROGESTERONE FOR USE IN THE TREATMENT OF TRAUMATIC BRAIN INJURY PREVACUS INC (US) 2020-10-28 EP disclosed
CN-105980396-B The synthesis of enantiomerism-progesterone and its intermediate 普瑞维卡斯有限公司 2019-03-22 CN disclosed
EP-3416651-A1 C-20 STEROID COMPOUNDS, COMPOSITIONS, AND USES THEREOF TO TREAT TRAUMATIC BRAIN INJURY (TBI), INCLUDING CONCUSSIONS Prevacus, Inc. (US) 2018-12-26 EP disclosed
CN-107108689-A C-20 steroid compounds, compositions thereof and use for treating Traumatic Brain Injury (TBI) including concussion 普瑞维卡斯有限公司 2017-08-29 CN disclosed
EP-3194417-A1 C-20 STEROID COMPOUNDS, COMPOSITIONS AND USES THEREOF TO TREAT TRAUMATIC BRAIN INJURY (TBI), INCLUDING CONCUSSIONS Prevacus, Inc. (US) 2017-07-26 EP disclosed
WO-2016209847-A1 C-20 STEROID COMPOUNDS, COMPOSITIONS, AND USES THEREOF TO TREAT TRAUMATIC BRAIN INJURY (TBI), INCLUDING CONCUSSIONS PREVACUS, INC. (US) 2016-12-29 WO disclosed
CN-105980396-A Synthesis of ent-progesterone and intermediates thereof 普瑞维卡斯有限公司 2016-09-28 CN disclosed
US-20160168190-A1 C-20 STEROID COMPOUNDS, COMPOSITIONS AND USES THEREOF TO TREAT TRAUMATIC BRAIN INJURY (TBI), INCLUDING CONCUSSIONS ORAGENICS, INC. 2016-06-16 US disclosed
WO-2016044559-A1 C-20 STEROID COMPOUNDS, COMPOSITIONS AND USES THEREOF TO TREAT TRAUMATIC BRAIN INJURY (TBI), INCLUDING CONCUSSIONS PREVACUS, INC. (US) 2016-03-24 WO disclosed
US-20150175650-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF PREVACUS INC (US) 2015-06-25 US disclosed
US-6051713-A USEFUL AS REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION, PARTICULARLY AS AGENTS FOR TREATING SKIN RELATED DISEASES, INCLUDING ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-KERATINIZATION SKIN DISORDERS ALLERGAN SALES, INC. (US) 2000-04-18 US disclosed
US-5965606-A RETINOID RECEPTORS, 2-FLUORO-4-(2',2',4',4'-TETRAMETHYL-8'-TRIFLUOROMETHYLCHROMAN-6' -YL)CARBAMOYL BENZOIC ACID FOR TREATING MONOCYTIC LEUKEMIA ALLERGAN SALES, INC. (US) 1999-10-12 US disclosed
US-5917048-A Substituted aryl or heteroarylamides having retinoid-like biological activity ALLERGAN SALES INC. (US) 1999-06-29 US disclosed
CN-1211180-A Method of treatment with compounds having RAG 'alpha' receptor specific or selective activity ALLERGAN CO (US) 1999-03-17 CN disclosed
CN-1207727-A Substd. aryl or heteroarylamides having retinoid-like biological activity VISION PHARM LP (US) 1999-02-10 CN disclosed
EP-0869782-A2 METHODS OF TREATMENT WITH COMPOUNDS HAVING RAR $g(a)? RECEPTOR SPECIFIC OR SELECTIVE ACTIVITY Vision Pharmaceuticals L.P. (US) 1998-10-14 EP disclosed
EP-0862555-A1 SUBSTITUTED ARYL OR HETEROARYLAMIDES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan (US) 1998-09-09 EP disclosed
US-5663357-A COMPOUNDS FOR TREATMENT OF SKIN DISORDERS ALLERGAN (US) 1997-09-02 US disclosed
WO-1997024116-A2 METHODS OF TREATMENT WITH COMPOUNDS HAVING RARα RECEPTOR SPECIFIC OR SELECTIVE ACTIVITY VISION PHARMACEUTICALS L.P. (US) 1997-07-10 WO disclosed
WO-1997019062-A1 SUBSTITUTED ARYL OR HETEROARYLAMIDES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1997-05-29 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 (2 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-20150175650-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF CYP21A2, PGR, CYP17A1 CES2 1996/4885GGPS1 22/4885GPR84 1926/4885
US-20160168190-A1 C-20 STEROID COMPOUNDS, COMPOSITIONS AND USES THEREOF TO TREAT TRAUMATIC BRAIN INJURY (TBI), INCLUDING CONCUSSIONS CYP17A1, HSD17B7, FABP7 CES2 747/4885GGPS1 2202/4885GPR84 1182/4885

“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.