SCHEMBL3186509

SCHEMBL3186509

C=C1CC(O)[C@H](O)C(O)/C1=C/C=C1CCC[C@@]2(C)C1CC[C@@H]2[C@H](C)CCCC(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
MAPT P10636 3/20 0.69
CDC25A P30304 3/20 0.69
ALDH1A1 P00352 2/20 0.69
CYP3A4 P08684 2/20 0.69
ALOX15 P16050 2/20 0.69
ADORA3 P0DMS8 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
PGR P06401 1/20 0.69
HSPD1 P10809 1/20 0.69
VDR P11473 1/20 0.69
HPGD P15428 1/20 0.69
TBXA2R P21731 1/20 0.69
PTGS1 P23219 1/20 0.69
GLRA1 P23415 1/20 0.69
DRD3 P35462 1/20 0.69
HSPE1 P61604 1/20 0.69
HSD17B10 Q99714 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
SCHEMBL10534045 0.91 MEN1 (0.60) MEN1KMT2AMAPTCDC25AALDH1A1
SCHEMBL10597997 0.87 ADORA3 (0.76) MEN1KMT2AMAPTCDC25AALDH1A1
SCHEMBL11681017 0.87 ADORA3 (0.76) MEN1KMT2AMAPTCDC25AALDH1A1
SCHEMBL27542722 0.87 ADORA3 (0.76) MEN1KMT2AMAPTCDC25AALDH1A1
SCHEMBL11681021 0.87 ADORA3 (0.76) MEN1KMT2AMAPTCDC25AALDH1A1
SCHEMBL7516578 0.86 MEN1 (0.81) MEN1KMT2AMAPTCDC25AALDH1A1
SCHEMBL11129087 0.86 MEN1 (0.81) MEN1KMT2AMAPTCDC25AALDH1A1
SCHEMBL7518602 0.83 MEN1 (0.68) MEN1KMT2AMAPTCDC25AALDH1A1
SCHEMBL7520299 0.83 MEN1 (0.68) MEN1KMT2AMAPTCDC25AALDH1A1
Cholecalciferol SCHEMBL23878716 0.81 MEN1 (1.00) MEN1KMT2AMAPTCDC25AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112156097-A Use of vitamin D for preventing or reducing chemotherapy-induced alopecia 博格有限责任公司 2021-01-01 CN claimed
WO-2017017677-A1 COMBINATION TREATMENT FOR LIVER DISEASE GALMED RESEARCH AND DEVELOPMENT LTD. (IL) 2017-02-02 WO claimed
US-20100009943-A1 2-Methylene-(22E)-25-(1-Methylene-Hexyl)-26,27-Cyclo-22-Dehydro-19-Nor-Vitamin D Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-01-14 US claimed
EP-1874320-A1 COMPOSITION OF FILM-FORMING SOLUTION TYPE, COMPRISING VITAMIN D OR A DERIVATIVE THEREOF AND A CORTICOSTEROID, AND USE THEREOF IN DERMATOLOGY Galderma S.A. (CH) 2008-01-09 EP claimed
EP-1796680-A2 METHODS OF TREATING SYMPTOMS OF MULTIPLE SCLEROSIS USING VITAMIN D AND RELATED COMPOUNDS Teva Pharmaceutical Industries Ltd (IL) 2007-06-20 EP claimed
WO-2006111426-A1 COMPOSITION OF FILM-FORMING SOLUTION TYPE, COMPRISING VITAMIN D OR A DERIVATIVE THEREOF AND A CORTICOSTEROID, AND USE THEREOF IN DERMATOLOGY GALDERMA S.A. (CH) 2006-10-26 WO claimed
CN-1837813-A Method for determining vitamin D content in effervescent preparation SHANDONG DYNE OCEANIC BIO PHAR (CN) 2006-09-27 CN claimed
WO-2006032053-A2 METHODS OF TREATING SYMPTOMS OF MULTIPLE SCLEROSIS USING VITAMIN D AND RELATED COMPOUNDS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2006-03-23 WO claimed
EP-1047671-A1 METHOD OF PREPARATION OF CHOLECALCIFEROL DERIVATIVES AND NEW INTERMEDIATE COMPOUNDS INSTYTUT FARMACEUTYCZNY (PL) 2000-11-02 EP claimed
EP-0998931-A1 REMEDIES FOR DRY EYE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2000-05-10 EP claimed
WO-1999036400-A1 METHOD OF PREPARATION OF CHOLECALCIFEROL DERIVATIVES AND NEW INTERMEDIATE COMPOUNDS INSTYTUT FARMACEUTYCZNY (PL) 1999-07-22 WO claimed
EP-0588539-B1 Stabilized pharmaceutical compositions containing derivatives of vitamins D2 and D3 TEVA PHARMA (IL) 1997-02-05 EP claimed
EP-0413828-B1 SOLID PREPARATION OF ACTIVE VITAMIN D3 HAVING IMPROVED STABILITY TEIJIN LTD (JP) 1996-04-17 EP claimed
US-5158944-A Dispersed in excipient readily soluble in organic solvent, and basic substance TEIJIN LIMITED (JP) 1992-10-27 US claimed
JP-54112847-A None JP disclosed
JP-54112846-A None JP disclosed
JP-61254558-A None JP disclosed
US-4022891-A Novel 1α,24-dihydroxycholecalciferol compositions, novel precursors thereof, and processes for preparing them TEIJIN LIMITED (JA) 1977-05-10 US disclosed
US-4022891-A Novel 1α,24-dihydroxycholecalciferol compositions, novel precursors thereof, and processes for preparing them TEIJIN LIMITED (JA) 1977-05-10 US disclosed
JP-H00892098-A 0001-01-01 JP 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-20100009943-A1 2-Methylene-(22E)-25-(1-Methylene-Hexyl)-26,27-Cyclo-22-Dehydro-19-Nor-Vitamin D Analogs CYP27B1, CYP24A1, VDR MEN1 1901/4885KMT2A 4776/4885MAPT 4182/4885

“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.