SCHEMBL17897650

SCHEMBL17897650

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(OC(C)(C)C)cccc3nc2-1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.85
▸ ALDH1A1 P00352 3/20 0.78
▸ GLA P06280 3/20 0.78
▸ RECQL P46063 2/20 0.78
▸ TDP1 Q9NUW8 2/20 0.78
▸ MEN1 O00255 2/20 0.78
▸ KMT2A Q03164 2/20 0.78
▸ SMN1; SMN2 Q16637 2/20 0.78
▸ KDM4E B2RXH2 3/20 0.77
▸ RAB9A P51151 2/20 0.77
▸ BLM P54132 2/20 0.77
▸ POLB P06746 1/20 0.77
▸ MAPT P10636 1/20 0.77
▸ ABCC4 O15439 2/20 0.72
▸ HTT P42858 2/20 0.72
▸ ABCC3 O15438 1/20 0.72
▸ ACHE P22303 1/20 0.72
▸ PTGS1 P23219 1/20 0.72
▸ ABCC2 Q92887 1/20 0.72
▸ TP53 P04637 2/20 0.72

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
SCHEMBL17897672 0.92 TOP1 (0.72) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL29994151 0.92 TOP1 (1.00) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL27827045 0.92 TOP1 (1.00) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL1004508 0.92 TOP1 (1.00) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL10636628 0.91 TOP1 (0.84) TOP1ALDH1A1GLARECQLTDP1
Hydrochloric Acid SCHEMBL28012447 0.90 TOP1 (0.97) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL5999664 0.88 TOP1 (0.79) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL27650420 0.88 TOP1 (1.00) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL1007033 0.88 TOP1 (1.00) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL1006662 0.88 TOP1 (1.00) TOP1ALDH1A1GLARECQLTDP1

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-9861703-B2 Multi-targeted Ubenimex prodrug derivative and preparation method and use thereof JINAN PLATINUM PHARMATECH CO. LTD. (CN) 2018-01-09 — — US disclosed
US-20160193347-A1 MULTI-TARGETED UBENIMEX PRODRUG DERIVATIVE AND PREPARATION METHOD AND USE THEREOF WEIFANG BOCHUANG INTERNATIONAL ACADEMY OF BIOTECHNOLOGY AND MEDICINE (CN) 2016-07-07 — — 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-20160193347-A1 MULTI-TARGETED UBENIMEX PRODRUG DERIVATIVE AND PREPARATION METHOD AND USE THEREOF ANPEP, DNPEP, ENPEP TOP1 4540/4885ALDH1A1 996/4885GLA 1139/4885

“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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