SCHEMBL16648942

SCHEMBL16648942

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(O)nccc3nc2-1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.77
▸ MEN1 O00255 5/20 0.77
▸ KMT2A Q03164 5/20 0.77
▸ SMN1; SMN2 Q16637 5/20 0.77
▸ ALDH1A1 P00352 4/20 0.77
▸ GLA P06280 3/20 0.77
▸ RECQL P46063 2/20 0.77
▸ TDP1 Q9NUW8 2/20 0.77
▸ KDM4E B2RXH2 5/20 0.73
▸ RAB9A P51151 2/20 0.73
▸ BLM P54132 2/20 0.73
▸ MAPT P10636 2/20 0.73
▸ POLB P06746 1/20 0.73
▸ CYP3A4 P08684 3/20 0.71
▸ HBB P68871 3/20 0.71
▸ CASP1 P29466 2/20 0.71
▸ CASP7 P55210 2/20 0.71
▸ TP53 P04637 2/20 0.71
▸ HPGD P15428 2/20 0.71
▸ LMNA P02545 2/20 0.71

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
SCHEMBL16648998 0.90 TOP1 (0.73) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16649246 0.89 TOP1 (0.75) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL23270615 0.87 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29664993 0.87 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1301708 0.87 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29056165 0.87 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27170416 0.87 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16812220 0.87 TOP1 (0.58) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6599316 0.86 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL18251452 0.86 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 — — US disclosed
US-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 — — US disclosed
US-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 — — US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 — — US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 — — US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 — — US disclosed
EP-2862571-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (MN) 2015-04-22 — — EP disclosed
EP-2862571-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (MN) 2015-04-22 — — EP 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-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF TOP2A, TOP2B, TYMP TOP1 4/4885MEN1 422/4885KMT2A 4271/4885

“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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