SCHEMBL21297730

SCHEMBL21297730

CC[C@@]1(OC(C)(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCS(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 11/20 0.61
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC3 O15379 6/20 0.51
HDAC1 Q13547 6/20 0.51
HDAC6 Q9UBN7 6/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL22893059 0.91 TOP1 (0.63) TOP1KDM4EGLAGAAHTT
SCHEMBL21297667 0.89 TOP1 (0.61) TOP1KDM4EGLAGAAHTT
SCHEMBL29321609 0.88 TOP1 (0.56) TOP1KDM4EGLAGAAHTT
SCHEMBL26028082 0.87 TOP1 (0.59) TOP1KDM4EGLAGAAHTT
SCHEMBL16491947 0.86 TOP1 (0.82) TOP1KDM4EGLAGAAHTT
SCHEMBL22893063 0.84 TOP1 (0.56) TOP1KDM4EGLAGAAHTT
SCHEMBL29321355 0.84 TOP1 (0.58) TOP1KDM4EGLAGAAHTT
SCHEMBL21297696 0.84 TOP1 (0.63) TOP1KDM4EGLAGAAHTT
SCHEMBL22843989 0.83 TOP1 (0.65) TOP1KDM4EGLAGAAHTT
SCHEMBL26028154 0.83 TOP1 (0.65) TOP1KDM4EGLAGAAHTT

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-20210009719-A1 PEPTIDE CONJUGATES OF CYTOTOXINS AS THERAPEUTICS Cybrexa 2, Inc. 2021-01-14 US disclosed
US-10391063-B2 Pharmaceutical composition of polyethylene glycol-modified camptothecin derivative and preparation method thereof JENKEM TECHNOLOGY CO., LTD. (TIANJIN) (CN) 2019-08-27 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 (2 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-20210009719-A1 PEPTIDE CONJUGATES OF CYTOTOXINS AS THERAPEUTICS TOP1, TOP2A, TOP2B TOP1 1/4885KDM4E 4298/4885GLA 2632/4885
US-10391063-B2 Pharmaceutical composition of polyethylene glycol-modified camptothecin derivative and preparation method thereof LPXN, PDE10A, PDE8A TOP1 5/4885KDM4E 4632/4885GLA 484/4885

“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.