SCHEMBL822512

SCHEMBL822512

COc1cc2nc(-c3ccc(Oc4cccc(-c5nc6cc(CO)c(CO)cc6c(=O)o5)c4)cc3)oc(=O)c2cc1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ F2 P00734 1/20 0.50
▸ MAPT P10636 6/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ TP53 P04637 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ CTSG P08311 5/20 0.42
▸ KLK7 P49862 5/20 0.42
▸ KLK14 Q9P0G3 5/20 0.42
▸ KLK5 Q9Y337 5/20 0.42
▸ CTRC Q99895 2/20 0.42
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL17297264 0.85 ALDH1A1 (0.59) ALDH1A1KMT2AHPGDF2MAPT
SCHEMBL17554019 0.71 KLK7 (0.72) ALDH1A1KMT2AHPGDF2MAPT
SCHEMBL22952908 0.71 KLK7 (0.67) ALDH1A1KMT2AHPGDMAPTHSD17B10
SCHEMBL8499615 0.70 KMT2A (0.70) ALDH1A1KMT2AHPGDF2MAPT
SCHEMBL914308 0.69 KMT2A (0.65) ALDH1A1KMT2AHPGDF2MAPT
SCHEMBL915062 0.69 KMT2A (0.64) ALDH1A1KMT2AHPGDMAPTHSD17B10
SCHEMBL5772611 0.68 ALDH1A1 (1.00) ALDH1A1KMT2AHPGDF2MAPT
SCHEMBL3453695 0.68 NPC1 (0.65) ALDH1A1KMT2AHPGDF2MAPT
SCHEMBL692832 0.68 ELANE (0.64) ALDH1A1KMT2AHPGDF2MAPT
SCHEMBL12927380 0.67 RAB9A (0.58) ALDH1A1KMT2AHPGDMAPTHSD17B10

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-9198891-B2 Method of treating cancer by inhibition of protein kinase-like endoplasmic reticulum protein kinase NEW YORK UNIVERSITY (US) 2015-12-01 — — US disclosed
US-20110288083-A1 METHOD OF TREATING CANCER BY INHIBITION OF PROTEIN KINASE-LIKE ENDOPLASMIC RETICULUM PROTEIN KINASE NEW YORK UNIVERSITY (US) 2011-11-24 — — 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-20110288083-A1 METHOD OF TREATING CANCER BY INHIBITION OF PROTEIN KINASE-LIKE ENDOPLASMIC RETICULUM PROTEIN KINASE ERN1, ERN2, EEF2K ALDH1A1 4002/4885KMT2A 3197/4885HPGD 3863/4885

“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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