SCHEMBL5406429

SCHEMBL5406429

CCCCC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(O)CCC2CCCC[C@@]21C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INPP5D Q92835 1/20 0.47
▸ CDC25A P30304 9/20 0.46
▸ CDC25B P30305 9/20 0.46
▸ GPBAR1 Q8TDU6 5/20 0.43
▸ AKR1B10 O60218 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ EFNA1 P20827 1/20 0.43
▸ EPHA2 P29317 1/20 0.43
▸ PSEN1 P49768 1/20 0.43
▸ PSEN2 P49810 1/20 0.43
▸ APH1B Q8WW43 1/20 0.43
▸ NCSTN Q92542 1/20 0.43
▸ APH1A Q96BI3 1/20 0.43
▸ PSENEN Q9NZ42 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PTPN1 P18031 1/20 0.42

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
SCHEMBL15536784 0.88 VDR (0.48) INPP5DCDC25ACDC25B
SCHEMBL6706039 0.88 CDC25A (0.49) INPP5DCDC25ACDC25BGPBAR1AKR1B10
SCHEMBL15536787 0.88 VDR (0.48) INPP5DCDC25ACDC25B
SCHEMBL17825552 0.87 PTPN1 (0.45) INPP5DCDC25ACDC25BGPBAR1AKR1B10
SCHEMBL3225451 0.85 CDC25A (0.41) INPP5DCDC25ACDC25BGPBAR1AKR1B10
SCHEMBL3225968 0.79 PTPN1 (0.46) INPP5DCDC25ACDC25BGPBAR1AKR1B10
SCHEMBL9390498 0.76 GPBAR1 (0.38) INPP5DCDC25ACDC25BGPBAR1AKR1B10
SCHEMBL6560622 0.76 INPP5D (0.62) INPP5DCDC25ACDC25BGPBAR1MEN1
SCHEMBL6560618 0.76 INPP5D (0.62) INPP5DCDC25ACDC25BGPBAR1MEN1
SCHEMBL25711251 0.74 USP2 (0.56) INPP5DCDC25ACDC25BGPBAR1AKR1B10

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-7241749-B2 2α-Methyl and 2β-methyl analogs of 19,26,27-trinor-(20S)-1α-hydroxyvitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-07-10 — — US disclosed
US-20060116352-A1 2alpha-Methyl and 2beta-methyl analogs of 19,26,27-trinor-(20S)-1alpha-hydroxyvitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION 2006-06-01 — — 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-20060116352-A1 2alpha-Methyl and 2beta-methyl analogs of 19,26,27-trinor-(20S)-1alpha-hydroxyvitamin D3 and their uses CYP24A1, CYP27B1, CD14 INPP5D 1856/4885CDC25A 399/4885CDC25B 520/4885

“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.

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