Cholesterol

Cholesterol

SCHEMBL21879229

CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.O=S(=O)(O)O.[LiH]

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO

The experimentally established mechanism targets of Cholesterol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OSBP P22059 6/20 0.89
RORC P51449 5/20 0.89
OSBP2 Q969R2 3/20 0.89
CYP46A1 Q9Y6A2 2/20 0.89
USP2 O75604 1/20 0.89
LMNA P02545 1/20 0.89
ABCB1 P08183 1/20 0.89
GRIN1 Q05586 5/20 0.76
GRIN2A Q12879 5/20 0.76
NR1H3 Q13133 6/20 0.75
CRYAB P02511 1/20 0.73
HMGCR P04035 1/20 0.73
ITGB3 P05106 1/20 0.73
ITGAV P06756 1/20 0.73
SREBF2 Q12772 1/20 0.73
NPC1L1 Q9UHC9 1/20 0.73
GRIN2B Q13224 4/20 0.72
EPHA2 P29317 1/20 0.71
DHCR24 Q15392 1/20 0.69

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
Cholesterol SCHEMBL3792432 1.00 OSBP (0.89) OSBPRORCOSBP2CYP46A1USP2
Cholesterol SCHEMBL27579873 0.99 OSBP (0.91) OSBPRORCOSBP2CYP46A1USP2
Cholesterol SCHEMBL26086800 0.99 OSBP (0.91) OSBPRORCOSBP2CYP46A1USP2
Cholesterol SCHEMBL9458834 0.99 OSBP (0.91) OSBPRORCOSBP2CYP46A1USP2
Cholesterol SCHEMBL192030 0.99 OSBP (0.91) OSBPRORCOSBP2CYP46A1USP2
Cholesterol SCHEMBL1965451 0.99 OSBP (0.91) OSBPRORCOSBP2CYP46A1USP2
Cholesterol SCHEMBL29094044 0.99 OSBP (0.91) OSBPRORCOSBP2CYP46A1USP2
Cholesterol SCHEMBL159924 0.98 OSBP (0.89) OSBPRORCOSBP2CYP46A1USP2
Cholesterol SCHEMBL2160402 0.98 OSBP (0.89) OSBPRORCOSBP2CYP46A1USP2
Cholesterol SCHEMBL27237461 0.98 OSBP (0.89) OSBPRORCOSBP2CYP46A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210030770-A1 LITHIUM CHOLESTEROL COMPOSITIONS, INCLUDING, BUT NOT LIMITED TO LITHIUM CHOLESTEROL SULFATE COMPOSITIONS, AND METHODS OF TREATMENT FOR ALZHEIMER'S DISEASE AND NEUROLOGICAL DISORDERS UNIV SOUTH FLORIDA (US) 2021-02-04 US disclosed
US-20210030770-A1 LITHIUM CHOLESTEROL COMPOSITIONS, INCLUDING, BUT NOT LIMITED TO LITHIUM CHOLESTEROL SULFATE COMPOSITIONS, AND METHODS OF TREATMENT FOR ALZHEIMER'S DISEASE AND NEUROLOGICAL DISORDERS UNIV SOUTH FLORIDA (US) 2021-02-04 US disclosed
US-10828312-B2 Lithium cholesterol compositions, including, but not limited to lithium cholesterol sulfate compositions, and methods of treatment for Alzheimer's disease and neurological disorders UNIVERSITY OF SOUTH FLORIDA 2020-11-10 US disclosed
US-20200129527-A1 LITHIUM CHOLESTEROL COMPOSITIONS, INCLUDING, BUT NOT LIMITED TO LITHIUM CHOLESTEROL SULFATE COMPOSITIONS, AND METHODS OF TREATMENT FOR ALZHEIMER'S DISEASE AND NEUROLOGICAL DISORDERS UNIVERSITY OF SOUTH FLORIDA (US) 2020-04-30 US disclosed
US-20200129527-A1 LITHIUM CHOLESTEROL COMPOSITIONS, INCLUDING, BUT NOT LIMITED TO LITHIUM CHOLESTEROL SULFATE COMPOSITIONS, AND METHODS OF TREATMENT FOR ALZHEIMER'S DISEASE AND NEUROLOGICAL DISORDERS UNIVERSITY OF SOUTH FLORIDA (US) 2020-04-30 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 (3 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-10828312-B2 Lithium cholesterol compositions, including, but not limited to lithium cholesterol sulfate compositions, and methods of treatment for Alzheimer's disease and neurological disorders HMGCR, LCAT, MAPT OSBP 724/4885RORC 254/4885OSBP2 356/4885
US-20210030770-A1 LITHIUM CHOLESTEROL COMPOSITIONS, INCLUDING, BUT NOT LIMITED TO LITHIUM CHOLESTEROL SULFATE COMPOSITIONS, AND METHODS OF TREATMENT FOR ALZHEIMER'S DISEASE AND NEUROLOGICAL DISORDERS HMGCR, LCAT, MAPT OSBP 724/4885RORC 254/4885OSBP2 356/4885
US-20200129527-A1 LITHIUM CHOLESTEROL COMPOSITIONS, INCLUDING, BUT NOT LIMITED TO LITHIUM CHOLESTEROL SULFATE COMPOSITIONS, AND METHODS OF TREATMENT FOR ALZHEIMER'S DISEASE AND NEUROLOGICAL DISORDERS HMGCR, LCAT, MAPT OSBP 724/4885RORC 254/4885OSBP2 356/4885

“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.