SCHEMBL16812230

SCHEMBL16812230

CC[C@@]1(O)C(=O)CCc2c1cc1n(c2=O)Cc2cc3c(OC)nccc3nc2-1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 19/20 0.57
▸ RECQL P46063 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ BLM P54132 1/20 0.53

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
SCHEMBL16812220 0.89 TOP1 (0.58) TOP1RECQLTDP1MEN1ALDH1A1
SCHEMBL16649246 0.87 TOP1 (0.75) TOP1RECQLTDP1MEN1ALDH1A1
SCHEMBL16812228 0.86 TOP1 (0.56) TOP1RECQLTDP1MEN1ALDH1A1
SCHEMBL26843370 0.81 TOP1 (0.77) TOP1RECQLTDP1MEN1ALDH1A1
SCHEMBL18251456 0.81 TOP1 (0.60) TOP1RECQLTDP1MEN1ALDH1A1
SCHEMBL16812231 0.81 TOP1 (0.53) TOP1MEN1ALDH1A1GLAKMT2A
SCHEMBL14576618 0.81 TOP1 (0.62) TOP1MEN1ALDH1A1GLAKMT2A
SCHEMBL15721371 0.81 TOP1 (0.64) TOP1RECQLTDP1MEN1ALDH1A1
SCHEMBL16812227 0.81 TOP1 (0.54) TOP1MEN1ALDH1A1GLAKMT2A
SCHEMBL14576559 0.80 TOP1 (0.62) TOP1RECQLTDP1MEN1ALDH1A1

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-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

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 4/4885RECQL 122/4885TDP1 432/4885

“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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