SCHEMBL10475101

SCHEMBL10475101

CC(C)c1ccc2c(c1)CCC1C(C)(CNCCC(=O)c3ccc(F)cc3)CCCC21C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 8/20 0.64
▸ KARS1 Q15046 1/20 0.59
▸ CYP3A4 P08684 3/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ CYP2D6 P10635 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ PDK1 Q15118 1/20 0.57
▸ PDK2 Q15119 1/20 0.57
▸ PDK3 Q15120 1/20 0.57
▸ PDK4 Q16654 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ TP53 P04637 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ ALOX15 P16050 1/20 0.56

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
Hydrochloric Acid SCHEMBL9775132 0.99 TDP1 (0.63) TDP1KARS1CYP3A4MEN1KMT2A
SCHEMBL17470671 0.85 MEN1 (0.74) TDP1KARS1CYP3A4MEN1KMT2A
SCHEMBL29353573 0.85 MEN1 (0.74) TDP1KARS1CYP3A4MEN1KMT2A
SCHEMBL239240 0.85 MEN1 (0.74) TDP1KARS1CYP3A4MEN1KMT2A
SCHEMBL19174219 0.85 MEN1 (0.74) TDP1KARS1CYP3A4MEN1KMT2A
SCHEMBL14496652 0.84 TDP1 (0.63) TDP1KARS1CYP3A4MEN1KMT2A
SCHEMBL9872651 0.84 MEN1 (0.62) TDP1KARS1CYP3A4MEN1KMT2A
SCHEMBL9872980 0.84 TDP1 (0.56) TDP1KARS1CYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL9870783 0.83 MEN1 (0.63) TDP1KARS1CYP3A4MEN1KMT2A
SCHEMBL289598 0.83 MEN1 (0.77) TDP1KARS1CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4948813-A Benzylketone phospholipase A2 inhibitors E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-14 — — US claimed
US-20070292385-A1 Phospholipase Inhibitors Localized in the Gastrointestinal Lumen ILYPSA, INC. 2007-12-20 — — US disclosed
US-20070292385-A1 Phospholipase Inhibitors Localized in the Gastrointestinal Lumen ILYPSA, INC. 2007-12-20 — — 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-20070292385-A1 Phospholipase Inhibitors Localized in the Gastrointestinal Lumen PNLIP, PLA2G2E, PLA2G4B TDP1 3501/4885KARS1 3232/4885CYP3A4 2061/4885

“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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