SCHEMBL16812221

SCHEMBL16812221

CC[C@@]1(O)C(=O)CCc2c1cc1n(c2=O)Cc2cc3cc4c(cc3nc2-1)CCO4

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 17/20 0.68
▸ DDX5 P17844 1/20 0.63
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ HBB P68871 2/20 0.56
▸ CASP1 P29466 1/20 0.56
▸ CASP7 P55210 1/20 0.56
▸ TP53 P04637 2/20 0.56
▸ GLA P06280 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ STAT6 P42226 1/20 0.56
▸ CHEK1 O14757 1/20 0.56
▸ HDAC3 O15379 1/20 0.56
▸ ABCC4 O15439 1/20 0.56
▸ GMNN O75496 1/20 0.56
▸ LMNA P02545 1/20 0.56

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
SCHEMBL16649085 0.90 TOP1 (0.85) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL6783214 0.84 TOP1 (0.61) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL16812223 0.82 TOP1 (0.59) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL13551015 0.81 TOP1 (0.75) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL10005196 0.81 TOP1 (0.75) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL6786852 0.81 TOP1 (0.75) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL18296599 0.81 TOP1 (1.00) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL13931437 0.81 TOP1 (1.00) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL6786007 0.81 TOP1 (0.80) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL20842967 0.81 TOP1 (0.61) TOP1DDX5MEN1KMT2ASMN1; SMN2

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 4/4885DDX5 1531/4885MEN1 422/4885

“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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