SCHEMBL1895119

SCHEMBL1895119

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nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 3/20 0.49
ALOX15 P16050 3/20 0.49
MAPT P10636 3/20 0.49
HSPD1 P10809 2/20 0.49
PTGS1 P23219 2/20 0.49
HSPE1 P61604 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
CDC25A P30304 1/20 0.49
PGR P06401 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
HPGD P15428 1/20 0.49
TBXA2R P21731 1/20 0.49
GLRA1 P23415 1/20 0.49
DRD3 P35462 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL1889026 1.00 VDR (0.49) VDRMEN1KMT2AALDH1A1CYP3A4
SCHEMBL1894822 0.86 MEN1 (0.53) VDRMEN1KMT2AALDH1A1CYP3A4
SCHEMBL1888308 0.86 MEN1 (0.53) VDRMEN1KMT2AALDH1A1CYP3A4
SCHEMBL1894820 0.86 MEN1 (0.53) VDRMEN1KMT2AALDH1A1CYP3A4
SCHEMBL1888307 0.86 MEN1 (0.53) VDRMEN1KMT2AALDH1A1CYP3A4
SCHEMBL17029395 0.85 VDR (0.63) VDRMEN1KMT2AALDH1A1CYP3A4
SCHEMBL1887971 0.81 ALDH1A1 (0.59) VDRMEN1KMT2AALDH1A1CYP3A4
SCHEMBL1892018 0.81 ALDH1A1 (0.59) VDRMEN1KMT2AALDH1A1CYP3A4
SCHEMBL1897124 0.81 ALDH1A1 (0.59) VDRMEN1KMT2AALDH1A1CYP3A4
SCHEMBL1892017 0.81 ALDH1A1 (0.59) VDRMEN1KMT2AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118228-A1 Enzymatic production or chemical synthesis and uses for 5,7-dienes and UVB conversion products thereof SLOMINSKI ANDRZEJ 2011-05-19 US disclosed
US-7253293-B2 Enzymatic method to produce 7-dehydropregnenolone, vitamin D3-like compounds and derivatives thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-07 US disclosed
US-20050277171-A1 Enzymatic method to produce 7-dehydropregnenolone, vitamin D3-like compounds and derivatives thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-12-15 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-20050277171-A1 Enzymatic method to produce 7-dehydropregnenolone, vitamin D3-like compounds and derivatives thereof CYP2R1, CYP27B1, CYP24A1 VDR 22/4885MEN1 3908/4885KMT2A 3810/4885

“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.