SCHEMBL6693303

SCHEMBL6693303

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.41
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NFE2L2 Q16236 3/20 0.38
▸ ERN1 O75460 5/20 0.37
▸ JUN P05412 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ AMY1A P0DUB6 1/20 0.36
▸ POLB P06746 1/20 0.36

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 0.81 THRB (0.39) TUBB1ALDH1A1GAAKDM4ENFKB1
SCHEMBL6694189 0.80 TUBB1 (0.54) TUBB1ALDH1A1LMNA
SCHEMBL6693009 0.78 KDM4E (0.49) ALDH1A1KDM4ETDP1LMNAMAPT
SCHEMBL6692435 0.77 SMN1; SMN2 (0.39) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL6694977 0.76 L3MBTL1 (0.42) ALDH1A1L3MBTL1NPBWR1HTR2A
SCHEMBL9049946 0.76 NFE2L2 (0.55) TUBB1ALDH1A1KDM4ETSHRTDP1
SCHEMBL23663122 0.76 TUBB1 (0.48) TUBB1ALDH1A1KDM4ETSHRTDP1
SCHEMBL29965444 0.76 TUBB1 (0.48) TUBB1ALDH1A1KDM4ETSHRTDP1
SCHEMBL31287740 0.75 TUBB1 (0.49) TUBB1ALDH1A1KDM4ETSHRTDP1
SCHEMBL7258432 0.74 TUBB1 (0.46) TUBB1ALDH1A1KDM4ETSHRTDP1

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 TUBB1 3607/4885ALDH1A1 2058/4885GAA 4733/4885

“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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