SCHEMBL933404

SCHEMBL933404

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)(O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.67
CYP2C19 P33261 1/20 0.67
INPP5D Q92835 1/20 0.66
CDC25A P30304 5/20 0.61
POLA1 P09884 1/20 0.60
NPC1L1 Q9UHC9 3/20 0.57
GRIN2A Q12879 2/20 0.57
GRIN1 Q05586 1/20 0.57
GRIN2B Q13224 1/20 0.57
OSBP P22059 1/20 0.55
OSBP2 Q969R2 1/20 0.55
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
KMT2A Q03164 1/20 0.55
SRD5A1 P18405 4/20 0.54
SRD5A2 P31213 3/20 0.54
FNTA P49354 1/20 0.54
FNTB P49356 1/20 0.54

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
SCHEMBL16860684 1.00 CYP2D6 (0.67) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL21257887 0.91 GRIN2A (0.57) CYP2D6CYP2C19INPP5DCDC25AGRIN2A
SCHEMBL8575259 0.91 GRIN2A (0.68) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL20390519 0.91 GRIN2A (0.68) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL18376473 0.91 GRIN2A (0.68) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL1358415 0.88 GRIN2A (0.59) CYP2D6CYP2C19INPP5DGRIN2AGRIN1
SCHEMBL232939 0.88 GPBAR1 (0.57) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL24710130 0.88 GRIN2A (0.74) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL20367591 0.88 GRIN2A (0.74) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL21257629 0.87 GRIN2A (0.58) CYP2D6CYP2C19INPP5DGRIN2AGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020183283-A1 Meiosis regulating compounds FAARUP PETER (DK) 2002-12-05 US claimed
CN-116497082-B Method for synthesizing 3 alpha, 7 alpha, 24R-trihydroxy cholesterol by chemical-enzymatic method 华南理工大学 2023-09-29 CN disclosed
EP-3368024-B1 COMPOSITIONS COMPRISING CANNABIDIOL AND SECOND THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER AKOS BIOSCIENCES INC (US) 2023-09-20 EP disclosed
CN-116497082-A Method for synthesizing 3 alpha, 7 alpha, 24R-trihydroxy cholesterol by chemical-enzymatic method 华南理工大学 2023-07-28 CN disclosed
CN-115813794-A Method for improving hair quality by improving scalp health 宝洁公司 2023-03-21 CN disclosed
CN-114315947-A Novel method for synthesizing cholesterol and 25-hydroxycholesterol by using 22-sterol as raw material 上海敏韬医药科技有限公司 2022-04-12 CN disclosed
US-20220054429-A1 COMPOSITIONS COMPRISING CANNABIDIOL AND SECOND THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER AKOS BIOSCIENCES, INC. 2022-02-24 US disclosed
EP-3368024-A1 COMPOSITIONS COMPRISING CANNABIDIOL AND SECOND THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER Jay Pharma, Inc. (CA) 2018-09-05 EP disclosed
WO-2017072773-A1 COMPOSITIONS COMPRISING CANNABIDIOL AND SECOND THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER NATHAN ILANA (IL) 2017-05-04 WO disclosed
WO-2011006087-A1 INHIBITION OF PPAR GAMMA EXPRESSION IN PREADIPOCYTE CELLS BY OXYSTEROLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-13 WO disclosed
EP-2111225-A2 INHIBITION OF PPAR GAMMA EXPRESSION BY SPECIFIC OSTEOGENIC OXYSTEROLS The Regents Of The University Of California (US) 2009-10-28 EP disclosed
WO-2008082520-A2 INHIBITION OF PPAR GAMMA EXPRESSION BY SPECIFIC OSTEOGENIC OXYSTEROLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-07-10 WO disclosed
EP-0735992-B1 METHOD OF CONVERTING HYDROXYL GROUPS INTO CORRESPONDING FLUORO COMPOUNDS BAYER AG (DE) 2001-01-03 EP disclosed
US-5760255-A Process for the conversion of hydroxyl groups into the corresponding fluorine compounds BAYER AG (DE) 1998-06-02 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 (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-20020183283-A1 Meiosis regulating compounds SREBF2, SREBF1, TRIP13 CYP2D6 3846/4885CYP2C19 4130/4885INPP5D 1443/4885

“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.