SCHEMBL20874417

SCHEMBL20874417

CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CNC(=O)C(F)(F)F)CCC[C@]21C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 12/20 0.76
▸ KARS1 Q15046 1/20 0.67
▸ HDAC3 O15379 1/20 0.64
▸ HDAC1 Q13547 1/20 0.64
▸ HDAC2 Q92769 1/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ TSHR P16473 2/20 0.64
▸ PDK1 Q15118 1/20 0.64
▸ PDK2 Q15119 1/20 0.64
▸ PDK3 Q15120 1/20 0.64
▸ PDK4 Q16654 1/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ TP53 P04637 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ MAPK1 P28482 1/20 0.63

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
SCHEMBL9109761 1.00 TDP1 (0.76) TDP1KARS1HDAC3HDAC1HDAC2
SCHEMBL9107959 0.91 TDP1 (0.78) TDP1KARS1HDAC3HDAC1HDAC2
SCHEMBL11817724 0.88 TDP1 (0.82) TDP1KARS1HDAC3HDAC1HDAC2
SCHEMBL9112314 0.88 TDP1 (0.82) TDP1KARS1HDAC3HDAC1HDAC2
SCHEMBL20856806 0.88 TDP1 (0.82) TDP1KARS1HDAC3HDAC1HDAC2
SCHEMBL29975241 0.87 TDP1 (0.79) TDP1KARS1HDAC3HDAC1HDAC2
SCHEMBL9111830 0.84 TDP1 (0.79) TDP1KARS1HDAC3HDAC1HDAC2
SCHEMBL18431216 0.84 MEN1 (0.74) TDP1KARS1MEN1CYP3A4KMT2A
SCHEMBL16204336 0.84 MEN1 (0.74) TDP1KARS1MEN1CYP3A4KMT2A
SCHEMBL14447522 0.84 TDP1 (0.78) TDP1KARS1HDAC3HDAC1HDAC2

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-10611786-B2 Manganese (III) catalyzed C—H aminations THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-04-07 — — US disclosed
US-20190106448-A1 MANGANESE (III) CATALYZED C--H AMINATIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-04-11 — — 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-10611786-B2 Manganese (III) catalyzed C—H aminations HLCS, NCL, NUDC TDP1 4124/4885KARS1 601/4885HDAC3 946/4885
US-20190106448-A1 MANGANESE (III) CATALYZED C--H AMINATIONS HLCS, NCL, NUDC TDP1 3977/4885KARS1 577/4885HDAC3 706/4885

“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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