SCHEMBL22221478

SCHEMBL22221478

CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NCc1ccncc1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ CYP3A4 P08684 4/20 0.60
▸ CYP1A2 P05177 3/20 0.60
▸ CYP2C9 P11712 3/20 0.60
▸ CYP2C19 P33261 3/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ MAPK14 Q16539 1/20 0.59
▸ PPARA Q07869 7/20 0.56
▸ PPARG P37231 2/20 0.56
▸ FABP2 P12104 1/20 0.56
▸ SLC22A12 Q96S37 1/20 0.56
▸ HSD11B1 P28845 1/20 0.56
▸ HSD11B2 P80365 1/20 0.56
▸ USP2 O75604 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ LMNA P02545 2/20 0.52

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
SCHEMBL22221679 0.90 PPARA (0.61) POLBTDP1CYP3A4CYP1A2CYP2C9
SCHEMBL22221473 0.88 PPARA (0.64) POLBTDP1CYP3A4CYP1A2CYP2C9
SCHEMBL24696436 0.86 CYP1A2 (0.60) POLBTDP1CYP3A4CYP1A2CYP2C9
SCHEMBL22221581 0.83 CYP1A2 (0.88) POLBTDP1CYP3A4CYP1A2CYP2C9
SCHEMBL22221477 0.81 ALDH1A1 (0.57) POLBTDP1CYP3A4CYP1A2CYP2C9
SCHEMBL22221670 0.80 PPARA (0.62) POLBTDP1CYP3A4CYP1A2CYP2C9
SCHEMBL21413784 0.80 PPARA (0.62) POLBTDP1CYP3A4CYP1A2CYP2C9
SCHEMBL4755781 0.80 PPARA (0.66) POLBTDP1CYP3A4CYP1A2CYP2C9
SCHEMBL22221499 0.79 PPARA (0.57) TDP1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL1584395 0.79 PPARA (0.60) POLBTDP1CYP3A4CYP1A2CYP2C9

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-20220304957-A1 ANTI-CANCER COMPOSITIONS AND METHODS OF USE UNIV LOUISIANA STATE (US) 2022-09-29 — — US disclosed
WO-2020146876-A2 ANTI-CANCER COMPOSITIONS AND METHODS OF USE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2020-07-16 — — 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-20220304957-A1 ANTI-CANCER COMPOSITIONS AND METHODS OF USE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, MCL1 POLB 639/4885TDP1 1233/4885CYP3A4 3638/4885

“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