SCHEMBL18054785

SCHEMBL18054785

Cc1ncc(CI)c(C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ LMNA P02545 3/20 0.46
▸ PDXK O00764 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ AOX1 Q06278 1/20 0.44
▸ TRIM24 O15164 1/20 0.43
▸ TRIM33 Q9UPN9 1/20 0.43
▸ ESR1 P03372 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ ACP1 P24666 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ P2RX1 P51575 1/20 0.37
▸ P2RX2 Q9UBL9 1/20 0.37
▸ PNPO Q9NVS9 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL16418384 0.81 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL1049253 0.81 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL191715 0.79 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL21657969 0.79 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL29733341 0.79 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11450620 0.79 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL11450712 0.78 ALDH1A1 (0.48) KDM4EALDH1A1HPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL28098773 0.78 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL20323321 0.72 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL15951413 0.71 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160250247-A1 VITAMIN B6 DERIVATIVES OF NUCLEOTIDES, ACYCLONUCLEOTIDES AND ACYCLONUCLEOSIDE PHOSPHONATES MBC PHARMA, INC. 2016-09-01 — — 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-20160250247-A1 VITAMIN B6 DERIVATIVES OF NUCLEOTIDES, ACYCLONUCLEOTIDES AND ACYCLONUCLEOSIDE PHOSPHONATES PNPO, PNP, PPA1 KDM4E 4800/4885ALDH1A1 2691/4885HPGD 92/4885

“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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