SCHEMBL16649085

SCHEMBL16649085

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4c(cc3nc2-1)CCO4

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.85
▸ DDX5 P17844 1/20 0.79
▸ MEN1 O00255 3/20 0.71
▸ KMT2A Q03164 3/20 0.71
▸ SMN1; SMN2 Q16637 3/20 0.71
▸ KDM4E B2RXH2 3/20 0.71
▸ ALDH1A1 P00352 3/20 0.71
▸ CYP3A4 P08684 2/20 0.71
▸ HBB P68871 2/20 0.71
▸ CASP1 P29466 1/20 0.71
▸ CASP7 P55210 1/20 0.71
▸ TP53 P04637 2/20 0.71
▸ GLA P06280 2/20 0.71
▸ HPGD P15428 2/20 0.71
▸ STAT6 P42226 1/20 0.71
▸ CHEK1 O14757 1/20 0.71
▸ HDAC3 O15379 1/20 0.71
▸ ABCC4 O15439 1/20 0.71
▸ GMNN O75496 1/20 0.71
▸ LMNA P02545 1/20 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
SCHEMBL13931437 0.92 TOP1 (1.00) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL18296599 0.92 TOP1 (1.00) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL16812221 0.90 TOP1 (0.68) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL29429769 0.89 TOP1 (1.00) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL9563404 0.89 TOP1 (1.00) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL29473358 0.89 TOP1 (1.00) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL20286453 0.89 TOP1 (1.00) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL18296600 0.89 TOP1 (1.00) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL30255916 0.89 TOP1 (1.00) TOP1DDX5MEN1KMT2ASMN1; SMN2
SCHEMBL3513607 0.87 TOP1 (0.86) 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 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 4/4885DDX5 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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