SCHEMBL4236124

SCHEMBL4236124

CC(=O)Oc1c2c(c3ccccc3c1OC(C)=O)OC(C)C2(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 5/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ BACE1 P56817 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35

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
SCHEMBL4235530 0.85 KMT2A (0.35) KDM4EABCB11ALDH1A1CYP1A2CYP2C9
SCHEMBL4238326 0.73 MYB (0.34) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL13611370 0.72 ELANE (0.34) —
SCHEMBL11780453 0.72 KDM4E (0.61) HTTKDM4EMAPTHSD17B10TP53
SCHEMBL4238330 0.71 KDM4E (0.43) HTTKDM4EMAPTHSD17B10TP53
SCHEMBL9643280 0.70 ABCB11 (0.64) HTTKDM4EMAPTHSD17B10TP53
SCHEMBL6907648 0.70 KDM4E (0.63) HTTKDM4EMAPTHSD17B10TP53
SCHEMBL29368738 0.70 KDM4E (0.63) HTTKDM4EMAPTHSD17B10TP53
SCHEMBL4231732 0.69 HPGD (0.48) HTTKDM4EMAPTHSD17B10TP53
SCHEMBL31597498 0.69 HPGD (0.48) HTTKDM4EMAPTHSD17B10TP53

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-20090124680-A1 USE OF PRODRUG COMPOSITION CONTAINING NAPHTHOQUINONE-BASED COMPOUND FOR MANUFACTURE OF MEDICAMENT FOR TREATMENT OR PREVENTION OF DISEASES INVOLVING METABOLIC SYNDROME MAZENCE INC. (KR) 2009-05-14 — — US disclosed
US-20090124680-A1 USE OF PRODRUG COMPOSITION CONTAINING NAPHTHOQUINONE-BASED COMPOUND FOR MANUFACTURE OF MEDICAMENT FOR TREATMENT OR PREVENTION OF DISEASES INVOLVING METABOLIC SYNDROME MAZENCE INC. (KR) 2009-05-14 — — US disclosed
US-20090124680-A1 USE OF PRODRUG COMPOSITION CONTAINING NAPHTHOQUINONE-BASED COMPOUND FOR MANUFACTURE OF MEDICAMENT FOR TREATMENT OR PREVENTION OF DISEASES INVOLVING METABOLIC SYNDROME MAZENCE INC. (KR) 2009-05-14 — — 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-20090124680-A1 USE OF PRODRUG COMPOSITION CONTAINING NAPHTHOQUINONE-BASED COMPOUND FOR MANUFACTURE OF MEDICAMENT FOR TREATMENT OR PREVENTION OF DISEASES INVOLVING METABOLIC SYNDROME NQO1, CYP27A1, NNMT HTT 3513/4885KDM4E 4034/4885MAPT 4216/4885

“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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