SCHEMBL21361153

SCHEMBL21361153

COC(=O)C(CO)NC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.62
▸ CNR1 P21554 3/20 0.62
▸ CNR2 P34972 2/20 0.57
▸ FOLH1 Q04609 2/20 0.57
▸ CAPN1 P07384 2/20 0.57
▸ PLCD1 P51178 1/20 0.54
▸ F2 P00734 1/20 0.53
▸ PRSS1 P07477 1/20 0.53
▸ PRSS2 P07478 1/20 0.53
▸ PRSS3 P35030 1/20 0.53
▸ TPSAB1 Q15661 1/20 0.53
▸ ITGB1 P05556 1/20 0.52
▸ ITGA4 P13612 1/20 0.52
▸ FGF1 P05230 1/20 0.52
▸ FGF2 P09038 1/20 0.52
▸ VEGFA P15692 1/20 0.52
▸ HPSE Q9Y251 1/20 0.52
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51

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
SCHEMBL21361159 0.87 TDP1 (0.55) TDP1CNR1CNR2FOLH1F2
SCHEMBL21361157 0.86 TDP1 (0.61) TDP1CNR1CNR2FOLH1CAPN1
SCHEMBL21958835 0.86 TDP1 (0.70) TDP1CNR1CNR2FOLH1CAPN1
SCHEMBL18779801 0.85 TDP1 (0.78) TDP1FOLH1CAPN1PLCD1F2
SCHEMBL15353873 0.85 TDP1 (0.60) TDP1CNR1FOLH1CAPN1F2
SCHEMBL23567351 0.85 TDP1 (0.67) TDP1CNR1CNR2FOLH1CAPN1
SCHEMBL2768198 0.85 TDP1 (0.81) TDP1CNR1CNR2FOLH1CAPN1
SCHEMBL18257192 0.85 TDP1 (0.81) TDP1CNR1CNR2FOLH1CAPN1
SCHEMBL19959667 0.85 TDP1 (0.81) TDP1CNR1CNR2FOLH1CAPN1
SCHEMBL9807479 0.84 TDP1 (0.77) TDP1CNR1FOLH1CAPN1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10413621-B2 Composition and methods for imaging cells CASE WESTERN RESERVE UNIVERSITY (US) 2019-09-17 — — 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-10413621-B2 Composition and methods for imaging cells MCL1, TP53, HNRNPAB TDP1 3017/4885CNR1 2138/4885CNR2 2381/4885

“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.

Send feedback