SCHEMBL12192016

SCHEMBL12192016

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nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 9/20 0.74
LMNA P02545 3/20 0.74
CASP7 P55210 3/20 0.71
HIF1A Q16665 3/20 0.71
TP53 P04637 2/20 0.71
MAPK1 P28482 2/20 0.71
HSD17B10 Q99714 2/20 0.71
BLM P54132 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
VDR P11473 2/20 0.71
USP2 O75604 2/20 0.71
CYP3A4 P08684 2/20 0.71
MDM4 O15151 1/20 0.71
MAPT P10636 1/20 0.71
HSPD1 P10809 1/20 0.71
TSHR P16473 1/20 0.71
PTPN2 P17706 1/20 0.71
PTPN1 P18031 1/20 0.71
EPHA2 P29317 1/20 0.71
BRCA1 P38398 1/20 0.71

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
SCHEMBL19253279 1.00 GPBAR1 (0.74) GPBAR1LMNACASP7HIF1ATP53
SCHEMBL13354470 1.00 GPBAR1 (0.74) GPBAR1LMNACASP7HIF1ATP53
SCHEMBL13811486 0.90 GPBAR1 (0.76) GPBAR1LMNACASP7HIF1ATP53
SCHEMBL20392723 0.90 GPBAR1 (0.76) GPBAR1LMNACASP7HIF1ATP53
SCHEMBL7915341 0.90 GPBAR1 (0.76) GPBAR1LMNACASP7HIF1ATP53
SCHEMBL14983111 0.90 GPBAR1 (0.76) GPBAR1LMNACASP7HIF1ATP53
SCHEMBL13356169 0.90 GPBAR1 (0.76) GPBAR1LMNACASP7HIF1ATP53
SCHEMBL15185969 0.90 GPBAR1 (0.76) GPBAR1LMNACASP7HIF1ATP53
SCHEMBL13588005 0.90 GPBAR1 (0.76) GPBAR1LMNACASP7HIF1ATP53
SCHEMBL1358402 0.90 GPBAR1 (0.76) GPBAR1LMNACASP7HIF1ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030482-B2 3-beta-tetrahydropyranyloxy-22-[4-(4,4-difluoro-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene-8-yl)butyroxy]-23-bisnorchol-5-ene, used in fluorescence spectroscopy for monitoring exchange, distribution and trafficking of cholesterol between living cells and lipid domains in membranes RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2011-10-04 US disclosed
US-20080177059-A1 FREE CHOLESTEROL ANALOGS BEARING A BORON DIPYRROMETHENE DIFLUORO (BODIPY) FLUOROPHORE IN THE SIDE CHAIN AND METHOD OF PREPARATION AND USE THEREOF RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2008-07-24 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-20080177059-A1 FREE CHOLESTEROL ANALOGS BEARING A BORON DIPYRROMETHENE DIFLUORO (BODIPY) FLUOROPHORE IN THE SIDE CHAIN AND METHOD OF PREPARATION AND USE THEREOF NPC1L1, CETP, NPC1 GPBAR1 62/4885LMNA 518/4885CASP7 3457/4885

“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.