SCHEMBL1650555

SCHEMBL1650555

C=C1CCCCC1=CC=C1CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.77
VDR P11473 4/20 0.77
MEN1 O00255 3/20 0.77
KMT2A Q03164 3/20 0.77
ADORA3 P0DMS8 3/20 0.77
CDC25A P30304 3/20 0.77
ALDH1A1 P00352 2/20 0.77
CYP3A4 P08684 2/20 0.77
ALOX15 P16050 2/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
PGR P06401 2/20 0.77
TDP1 Q9NUW8 1/20 0.77
HSPD1 P10809 1/20 0.77
HPGD P15428 1/20 0.77
TBXA2R P21731 1/20 0.77
PTGS1 P23219 1/20 0.77
GLRA1 P23415 1/20 0.77
DRD3 P35462 1/20 0.77
HSPE1 P61604 1/20 0.77
HSD17B10 Q99714 1/20 0.77

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
SCHEMBL22141545 1.00 MAPT (0.77) MAPTVDRMEN1KMT2AADORA3
SCHEMBL23619148 1.00 MAPT (0.77) MAPTVDRMEN1KMT2AADORA3
SCHEMBL4993254 1.00 MAPT (0.77) MAPTVDRMEN1KMT2AADORA3
SCHEMBL23619143 0.88 VDR (0.61) MAPTVDRMEN1KMT2AADORA3
SCHEMBL1140731 0.88 VDR (0.67) MAPTVDRMEN1KMT2AADORA3
SCHEMBL1140730 0.88 VDR (0.67) MAPTVDRMEN1KMT2AADORA3
SCHEMBL21264751 0.88 MAPT (0.80) MAPTVDRMEN1KMT2AADORA3
SCHEMBL21128778 0.88 MAPT (0.80) MAPTVDRMEN1KMT2AADORA3
SCHEMBL12372105 0.88 MAPT (0.80) MAPTVDRMEN1KMT2AADORA3
SCHEMBL11977559 0.88 MAPT (0.80) MAPTVDRMEN1KMT2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009108388-A2 ENZYMATIC PRODUCTION OR CHEMICAL SYNTHESIS AND USES FOR 5,7-DIENES AND UVB CONVERSION PRODUCTS THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-09-03 WO claimed
EP-0753510-B1 Method of production of 9,10-secocholesta-5,7,10(19)-trienes CERBIOS PHARMA SA (CH) 1998-10-21 EP claimed
US-5698714-A Process for the preparation of 9, 10-secocholesta-5,7,10 (19)-trienes CERBIOS PHARMA S.A. (CH) 1997-12-16 US claimed
EP-0753510-A1 Method of production of 9,10-secocholesta-5,7,10(19)-trienes Cerbios-Pharma S.A. (CH) 1997-01-15 EP claimed
EP-0377743-B1 STEROID COMPOUNDS KURARAY CO (JP) 1995-06-28 EP claimed
EP-0377743-A1 STEROID COMPOUNDS KURARAY CO., LTD. (JP) 1990-07-18 EP claimed
WO-2017118885-A1 STABLE PHARMACUETICAL COMPOSITIONS OF CALCITRIOL GLAND PHARMA LIMITED (IN) 2017-07-13 WO disclosed
US-20140100419-A1 ACTIVE VITAMIN D OR ANALOGS THEREOF FOR USE IN IN VIVO OR IN VITRO FERTILIZATION RIGSHOSPITALET COPENHAGEN UNIVERSITY HOSPITAL (DK) 2014-04-10 US disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
WO-2009108388-A2 ENZYMATIC PRODUCTION OR CHEMICAL SYNTHESIS AND USES FOR 5,7-DIENES AND UVB CONVERSION PRODUCTS THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-09-03 WO disclosed
US-7402688-B2 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin D derivative WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-07-22 US disclosed
US-20060160779-A1 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin d derivative WISCONSIN ALUMNI RESEARCH FOUNDATION 2006-07-20 US disclosed
US-7019146-B1 Ferrocene compound and use thereof CHUGAI SEIYAKU KABUSHIKI KAISYA (JP) 2006-03-28 US disclosed
EP-0377743-B1 STEROID COMPOUNDS KURARAY CO (JP) 1995-06-28 EP disclosed
EP-0112332-B1 VITAMIN D GLYCOSIDES THE GENERAL HOSPITAL CORPORATION (US) 1993-06-16 EP disclosed
US-5218109-A STEROID COMPOUNDS KURARAY CO., LTD. (JP) 1993-06-08 US disclosed
EP-0377743-A1 STEROID COMPOUNDS KURARAY CO., LTD. (JP) 1990-07-18 EP disclosed
EP-0112332-A4 VITAMIN D GLYCOSIDES. MASSACHUSETTS GEN HOSPITAL (US) 1985-08-12 EP disclosed
EP-0112332-A1 VITAMIN D GLYCOSIDES. MASSACHUSETTS GEN HOSPITAL (US) 1984-07-04 EP disclosed
WO-1984000107-A1 VITAMIN D GLYCOSIDES MASSACHUSETTS GEN HOSPITAL (US) 1984-01-19 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 (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-20060160779-A1 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin d derivative CYP24A1, CYP2R1, VDR MAPT 4820/4885VDR 3/4885MEN1 758/4885

“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.