SCHEMBL25119754

SCHEMBL25119754

Cc1ccc(C(F)(F)Oc2ccccc2Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 6/20 0.39
▸ MAPT P10636 6/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTR7 P34969 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ TDP1 Q9NUW8 3/20 0.33
▸ KIF11 P52732 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ MLYCD O95822 1/20 0.32

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
SCHEMBL28031049 0.87 ALDH1A1 (0.39) L3MBTL1MAPTRAB9AHPGDNPC1
SCHEMBL615592 0.74 HTR7 (0.38) L3MBTL1HTR7ALDH1A1CA1CA2
SCHEMBL29471353 0.74 HTR7 (0.38) L3MBTL1HTR7ALDH1A1CA1CA2
Toluene SCHEMBL27745468 0.74 LMNA (0.42) L3MBTL1MAPTRAB9AHPGDNPC1
SCHEMBL28074025 0.73 CA1 (0.35) L3MBTL1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7730645 0.72 ACHE (0.42) MAPTALDH1A1TSHRCA1CA2
SCHEMBL13104749 0.72 ACHE (0.42) MAPTALDH1A1TSHRCA1CA2
SCHEMBL12829128 0.72 ACHE (0.42) MAPTALDH1A1TSHRCA1CA2
SCHEMBL28015639 0.72 HTR7 (0.37) L3MBTL1HTR7ALDH1A1CA1CA2
SCHEMBL19315792 0.72 TSHR (0.46) ALDH1A1TSHRCA1CA2CA5A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230099421-A1 A NEW METHOD OF 18F LABELLING AND INTERMEDIATE SALTS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-03-30 — — 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-20230099421-A1 A NEW METHOD OF 18F LABELLING AND INTERMEDIATE SALTS NPY1R, TMEM14C, SLCO1B1 L3MBTL1 4024/4885MAPT 2082/4885RAB9A 54/4885

“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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