SCHEMBL20024428

SCHEMBL20024428

CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)C(C)(C)C)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ FTO Q9C0B1 10/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MAPT P10636 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ SMAD3 P84022 1/20 0.45
▸ PRMT1 Q99873 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ GSTP1 P09211 1/20 0.43

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
SCHEMBL31580184 0.87 HPGD (0.55) HPGDTDP1ALDH1A1CYP3A4HIF1A
SCHEMBL16974362 0.87 HPGD (0.55) HPGDTDP1ALDH1A1CYP3A4HIF1A
SCHEMBL18685195 0.87 ALDH1A1 (0.55) HPGDTDP1ALDH1A1CYP3A4HIF1A
SCHEMBL409785 0.86 FTO (0.63) HPGDTDP1ALDH1A1CYP3A4HSD17B10
SCHEMBL18680082 0.85 CYP3A4 (0.53) HPGDTDP1ALDH1A1CYP3A4HIF1A
SCHEMBL29395325 0.83 HPGD (0.51) HPGDTDP1ALDH1A1CYP3A4HIF1A
SCHEMBL18270247 0.81 CYP3A4 (0.48) HPGDTDP1ALDH1A1CYP3A4HIF1A
SCHEMBL19786811 0.81 HPGD (0.48) HPGDTDP1ALDH1A1CYP3A4HIF1A
SCHEMBL15435547 0.79 HPGD (0.60) HPGDTDP1ALDH1A1CYP3A4HIF1A
SCHEMBL13663813 0.79 MAPT (0.49) HPGDTDP1ALDH1A1CYP3A4HIF1A

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-20180092845-A1 ENZYME-RESPONSIVE NANOPARTICLES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-04-05 — — US disclosed
US-20180092845-A1 ENZYME-RESPONSIVE NANOPARTICLES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-04-05 — — 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-20180092845-A1 ENZYME-RESPONSIVE NANOPARTICLES TNNI3, TNNT2, TNNC1 HPGD 477/4885TDP1 1064/4885ALDH1A1 540/4885

“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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