SCHEMBL6693009

SCHEMBL6693009

COc1ccc(Oc2c(Cl)c(F)nc(F)c2Cl)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.49
▸ POLB P06746 3/20 0.49
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ PLA2G2A P14555 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ ADRB3 P13945 2/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPK1 P28482 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ GFER P55789 1/20 0.38

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
SCHEMBL6692393 0.82 THRB (0.39) KDM4EPOLBALDH1A1HPGDMAPT
SCHEMBL6694189 0.81 TUBB1 (0.54) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL6691509 0.80 THRB (0.52) MAPTLMNAKMT2ARAB9ASMN1; SMN2
SCHEMBL6692435 0.79 SMN1; SMN2 (0.39) ALDH1A1MAPTNPSR1LMNAMEN1
SCHEMBL6693303 0.78 TUBB1 (0.46) KDM4EPOLBALDH1A1MAPTLMNA
SCHEMBL6694977 0.78 L3MBTL1 (0.42) ALDH1A1HTTMEN1KMT2AMAPK1
SCHEMBL23663084 0.77 POLB (0.52) KDM4EPOLBALDH1A1HPGDPLA2G2A
SCHEMBL29965211 0.77 POLB (0.52) KDM4EPOLBALDH1A1HPGDPLA2G2A
SCHEMBL6694690 0.76 RORC (0.56) —
SCHEMBL7258836 0.74 KDM4E (0.52) KDM4EPOLBALDH1A1HPGDMAPT

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-6747048-B2 TREATING DISEASES OR DISORDERS ASSOCIATED WITH METABOLISM DYSFUNCTION OR WHICH ARE DEPENDENT UPON THE EXPRESSION OF A T3 REGULATED GENE, BRISTOL-MYERS SQUIBB COMPANY 2004-06-08 — — US disclosed
US-20040039028-A1 Pyridine-based thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY 2004-02-26 — — 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-20040039028-A1 Pyridine-based thyroid receptor ligands TSHR, THRB, THRA KDM4E 3069/4885POLB 3561/4885ALDH1A1 2058/4885

“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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