SCHEMBL22436171

SCHEMBL22436171

COc1ccc(-c2cc(C)c3ccccc3n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.73
▸ LMNA P02545 5/20 0.73
▸ KDM4E B2RXH2 4/20 0.73
▸ ALDH1A1 P00352 4/20 0.73
▸ HPGD P15428 3/20 0.73
▸ ACACA Q13085 1/20 0.73
▸ HTT P42858 1/20 0.73
▸ ACP1 P24666 9/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ TP53 P04637 1/20 0.60
▸ SMN1; SMN2 Q16637 5/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ NPC1 O15118 2/20 0.58
▸ NFKB1 P19838 2/20 0.58
▸ NFKB2 Q00653 2/20 0.58
▸ RELA Q04206 2/20 0.58
▸ ATM Q13315 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL13350452 0.86 KDM4E (0.74) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL25181505 0.86 ACACA (0.97) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL710469 0.85 ALDH1A1 (0.66) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL951744 0.85 MAPT (0.65) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL10263305 0.84 KDM4E (0.73) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL29726805 0.84 ACACA (1.00) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL16295684 0.84 ACACA (1.00) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL25522200 0.84 ACACA (1.00) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL26456461 0.83 ALDH1A1 (0.64) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL6859623 0.83 ALDH1A1 (0.63) MAPTLMNAKDM4EALDH1A1HPGD

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-20200290977-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof LA JOLLA INSTITUTE OF ALLERGY & IMMUNOLOGY 2020-09-17 — — US disclosed
CN-105949118-B A kind of preparation method of 2- aryl quinoline derivatives 河南工业大学 2019-02-26 — — CN disclosed
CN-105949118-A Preparation method of 2-aryl quinoline derivatives 河南工业大学 2016-09-21 — — CN 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-20200290977-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof ACP1, PTPRCAP, PTPA MAPT 3143/4885LMNA 3235/4885KDM4E 920/4885

“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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