SCHEMBL2318213

SCHEMBL2318213

COc1cc(OC)c(OC)cc1C=NN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ TSHR P16473 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ CYP3A4 P08684 2/20 0.52
▸ HMGCR P04035 1/20 0.52
▸ HPGD P15428 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ MAPT P10636 3/20 0.49
▸ NFE2L2 Q16236 1/20 0.46
▸ CYP1A1 P04798 3/20 0.44
▸ CYP1B1 Q16678 3/20 0.44
▸ CYP1A2 P05177 3/20 0.44
▸ PRKDC P78527 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NOD2 Q9HC29 2/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL28687238 0.78 TSHR (0.54) KDM4EALDH1A1TSHRTDP1CYP3A4
Methoxymethane SCHEMBL28666837 0.77 TSHR (0.52) KDM4EALDH1A1TSHRTDP1CYP3A4
SCHEMBL13622498 0.76 ALDH1A1 (0.50) ALDH1A1TSHRTDP1CYP3A4MEN1
SCHEMBL2314671 0.76 GRIN2D (0.64) KDM4EALDH1A1TSHRTDP1CYP3A4
SCHEMBL2316541 0.76 GRIN2D (0.64) KDM4EALDH1A1TSHRTDP1CYP3A4
SCHEMBL2315188 0.76 CYP1A1 (0.56) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL23996037 0.76 KDM4E (0.50) KDM4EALDH1A1TSHRTDP1CYP3A4
SCHEMBL2316245 0.75 APP (0.51) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL2312701 0.75 AMY1A (0.59) KDM4EALDH1A1TSHRTDP1HPGD
SCHEMBL27719077 0.75 KDM4E (0.60) KDM4EALDH1A1TSHRTDP1CYP3A4

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-20110189306-A1 COMPOUNDS, COMPOSITIONS AND TREATMENTS FOR V-ATPase RELATED DISEASES KARTNER NORBERT 2011-08-04 — — 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-20110189306-A1 COMPOUNDS, COMPOSITIONS AND TREATMENTS FOR V-ATPase RELATED DISEASES ATP6V1E1, ATP6V1G1, ATP6V1H KDM4E 2907/4885ALDH1A1 2068/4885TSHR 4470/4885

“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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