SCHEMBL20856806

SCHEMBL20856806

CC(=O)NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 12/20 0.82
▸ KARS1 Q15046 1/20 0.72
▸ MEN1 O00255 2/20 0.69
▸ CYP3A4 P08684 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ TSHR P16473 2/20 0.69
▸ PDK1 Q15118 1/20 0.69
▸ PDK2 Q15119 1/20 0.69
▸ PDK3 Q15120 1/20 0.69
▸ PDK4 Q16654 1/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ HDAC3 O15379 1/20 0.68
▸ HDAC1 Q13547 1/20 0.68
▸ HDAC2 Q92769 1/20 0.68
▸ TP53 P04637 1/20 0.67
▸ MAPT P10636 1/20 0.67
▸ ALOX15 P16050 1/20 0.67
▸ MAPK1 P28482 1/20 0.67

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
SCHEMBL9112314 1.00 TDP1 (0.82) TDP1KARS1MEN1CYP3A4KMT2A
SCHEMBL11817724 0.92 TDP1 (0.82) TDP1KARS1MEN1CYP3A4KMT2A
SCHEMBL29975241 0.90 TDP1 (0.79) TDP1KARS1MEN1CYP3A4KMT2A
SCHEMBL9107959 0.89 TDP1 (0.78) TDP1KARS1MEN1CYP3A4KMT2A
SCHEMBL9109761 0.88 TDP1 (0.76) TDP1KARS1MEN1CYP3A4KMT2A
SCHEMBL20874417 0.88 TDP1 (0.76) TDP1KARS1MEN1CYP3A4KMT2A
SCHEMBL9111830 0.88 TDP1 (0.79) TDP1KARS1MEN1CYP3A4KMT2A
SCHEMBL14447522 0.87 TDP1 (0.78) TDP1KARS1MEN1CYP3A4KMT2A
SCHEMBL289598 0.87 MEN1 (0.77) TDP1KARS1MEN1CYP3A4KMT2A
SCHEMBL14496633 0.86 TDP1 (0.76) TDP1KARS1MEN1CYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230279170-A1 CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2023-09-07 — — US disclosed
US-20230279170-A1 CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2023-09-07 — — US disclosed
EP-3687521-A1 NEW DERIVATES OF DHAA WITH ELECTROSTATIC TUNING Elinder, Fredrik (SE) 2020-08-05 — — EP disclosed
US-20200239412-A1 NEW DERIVATES OF DHAA WITH ELECTROSTATIC TUNING ELINDER FREDRIK (SE) 2020-07-30 — — US disclosed
US-20200239412-A1 NEW DERIVATES OF DHAA WITH ELECTROSTATIC TUNING ELINDER FREDRIK (SE) 2020-07-30 — — US disclosed
WO-2019066711-A1 NEW DERIVATES OF DHAA WITH ELECTROSTATIC TUNING ELINDER FREDRIK (SE) 2019-04-04 — — WO disclosed
WO-2019066711-A1 NEW DERIVATES OF DHAA WITH ELECTROSTATIC TUNING ELINDER FREDRIK (SE) 2019-04-04 — — WO 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-20200239412-A1 NEW DERIVATES OF DHAA WITH ELECTROSTATIC TUNING GRIN2B, ALOX15, GRIN2A TDP1 4329/4885KARS1 3065/4885MEN1 4517/4885

“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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