SCHEMBL22221473

SCHEMBL22221473

CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 12/20 0.64
▸ POLB P06746 2/20 0.64
▸ TDP1 Q9NUW8 2/20 0.64
▸ PPARG P37231 3/20 0.63
▸ FABP2 P12104 1/20 0.63
▸ SLC22A12 Q96S37 1/20 0.63
▸ ADAMTS5 Q9UNA0 1/20 0.61
▸ USP2 O75604 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ CNR1 P21554 5/20 0.57
▸ CNR2 P34972 3/20 0.55
▸ MEN1 O00255 1/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53

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
SCHEMBL24696880 0.89 PPARA (0.65) PPARAPOLBTDP1PPARGFABP2
SCHEMBL22221478 0.88 POLB (0.61) PPARAPOLBTDP1PPARGFABP2
SCHEMBL24696436 0.86 CYP1A2 (0.60) PPARAPOLBTDP1PPARGFABP2
SCHEMBL4755781 0.85 PPARA (0.66) PPARAPOLBTDP1PPARGFABP2
SCHEMBL22221477 0.82 ALDH1A1 (0.57) PPARAPOLBTDP1PPARGFABP2
SCHEMBL22221670 0.82 PPARA (0.62) PPARAPOLBTDP1PPARGFABP2
SCHEMBL22221475 0.82 PPARA (0.67) PPARAPOLBTDP1PPARGFABP2
SCHEMBL21413784 0.82 PPARA (0.62) PPARAPOLBTDP1PPARGFABP2
SCHEMBL10970327 0.82 CNR1 (0.66) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL1584395 0.81 PPARA (0.60) PPARAPOLBTDP1PPARGFABP2

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 PPARA 1460/4885POLB 639/4885TDP1 1233/4885

“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