Sugi Predict

Sugi Predict / Compounds / SCHEMBL13076858

SCHEMBL13076858

SCHEMBL13076858

CC(CO)CCC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 7/20 1.00
▸ OSBP P22059 6/20 1.00
▸ RORC P51449 5/20 1.00
▸ GRIN1 Q05586 6/20 0.84
▸ GRIN2A Q12879 6/20 0.84
▸ OSBP2 Q969R2 3/20 0.84
▸ USP2 O75604 1/20 0.84
▸ LMNA P02545 1/20 0.84
▸ ABCB1 P08183 1/20 0.84
▸ CYP46A1 Q9Y6A2 1/20 0.84
▸ DHCR24 Q15392 1/20 0.80
▸ CRYAB P02511 1/20 0.76
▸ HMGCR P04035 1/20 0.76
▸ ITGB3 P05106 1/20 0.76
▸ ITGAV P06756 1/20 0.76
▸ SREBF2 Q12772 1/20 0.76
▸ NPC1L1 Q9UHC9 1/20 0.76
▸ GRIN2B Q13224 5/20 0.75
▸ EPHA2 P29317 1/20 0.72
▸ NR1H2 P55055 1/20 0.70

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
SCHEMBL1042866 1.00 NR1H3 (1.00) NR1H3OSBPRORCGRIN1GRIN2A
SCHEMBL6391967 1.00 NR1H3 (1.00) NR1H3OSBPRORCGRIN1GRIN2A
SCHEMBL288494 1.00 NR1H3 (1.00) NR1H3OSBPRORCGRIN1GRIN2A
SCHEMBL159618 1.00 NR1H3 (1.00) NR1H3OSBPRORCGRIN1GRIN2A
SCHEMBL23960515 1.00 NR1H3 (1.00) NR1H3OSBPRORCGRIN1GRIN2A
SCHEMBL24937893 1.00 NR1H3 (1.00) NR1H3OSBPRORCGRIN1GRIN2A
SCHEMBL1176969 1.00 NR1H3 (1.00) NR1H3OSBPRORCGRIN1GRIN2A
SCHEMBL22095720 1.00 NR1H3 (1.00) NR1H3OSBPRORCGRIN1GRIN2A
SCHEMBL22559557 1.00 NR1H3 (1.00) NR1H3OSBPRORCGRIN1GRIN2A
SCHEMBL288733 1.00 NR1H3 (1.00) NR1H3OSBPRORCGRIN1GRIN2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192756-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF Sage Therapeutics, LLC 2023-06-22 — — US disclosed
US-20230129151-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MYELIN RELATED AND INFLAMMATION RELATED DISEASES OR DISORDERS DUKE UNIVERSITY (US) 2023-04-27 — — US disclosed
US-20230129151-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MYELIN RELATED AND INFLAMMATION RELATED DISEASES OR DISORDERS DUKE UNIVERSITY (US) 2023-04-27 — — US disclosed
US-20210161916-A1 COMPOSITIONS AND METHODS FOR THE REPAIR OF MYELIN DUKE UNIVERSITY 2021-06-03 — — US disclosed
US-20210147470-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2021-05-20 — — US disclosed
US-10759828-B2 Neuroactive steroids, compositions, and uses thereof SAGE THERAPEUTICS, INC. (US) 2020-09-01 — — US disclosed
US-20190336512-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MYELIN RELATED AND INFLAMMATION RELATED DISEASES OR DISORDERS DUKE UNIVERSITY 2019-11-07 — — US disclosed
US-20190231798-A1 COMPOSITIONS AND METHODS FOR THE REPAIR OF MYELIN DUKE UNIVERSITY 2019-08-01 — — US disclosed
US-10238664-B2 Compositions and methods for the repair of myelin DUKE UNIVERSITY (US) 2019-03-26 — — US disclosed
US-20170196892-A1 COMPOSITIONS AND METHODS FOR THE REPAIR OF MYELIN DUKE UNIVERSITY 2017-07-13 — — US disclosed
US-20170196892-A1 COMPOSITIONS AND METHODS FOR THE REPAIR OF MYELIN DUKE UNIVERSITY 2017-07-13 — — US disclosed
WO-2016007762-A1 COMPOSITIONS AND METHODS FOR THE REPAIR OF MYELIN DUKE UNIVERSITY (US) 2016-01-14 — — WO disclosed
US-7825269-B2 Ligands for nematode nuclear receptors and uses thereof BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2010-11-02 — — 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 (9 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-20170196892-A1 COMPOSITIONS AND METHODS FOR THE REPAIR OF MYELIN PMP22, MAG, CYP27A1 NR1H3 9/4885OSBP 15/4885RORC 452/4885
US-20190336512-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MYELIN RELATED AND INFLAMMATION RELATED DISEASES OR DISORDERS PMP22, MAG, MYT1 NR1H3 6/4885OSBP 76/4885RORC 9/4885
US-20210147470-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R NR1H3 64/4885OSBP 2286/4885RORC 364/4885
US-20230129151-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MYELIN RELATED AND INFLAMMATION RELATED DISEASES OR DISORDERS PMP22, MAG, MYT1 NR1H3 4/4885OSBP 76/4885RORC 9/4885
US-10759828-B2 Neuroactive steroids, compositions, and uses thereof CHRNB4, CHRNB3, MC2R NR1H3 64/4885OSBP 2286/4885RORC 364/4885
US-20230192756-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R NR1H3 62/4885OSBP 2310/4885RORC 344/4885
US-10238664-B2 Compositions and methods for the repair of myelin PMP22, MAG, CYP27A1 NR1H3 9/4885OSBP 15/4885RORC 452/4885
US-20210161916-A1 COMPOSITIONS AND METHODS FOR THE REPAIR OF MYELIN PMP22, MAG, CYP27A1 NR1H3 9/4885OSBP 15/4885RORC 452/4885
US-20190231798-A1 COMPOSITIONS AND METHODS FOR THE REPAIR OF MYELIN PMP22, MAG, CYP27A1 NR1H3 9/4885OSBP 15/4885RORC 452/4885

“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.