SCHEMBL25747757

SCHEMBL25747757

N#Cc1ccc(-c2ccc(OCCOC=O)c(Br)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 8/20 0.41
▸ MMP3 P08254 8/20 0.41
▸ MMP1 P03956 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ ACLY P53396 1/20 0.34
▸ CCR5 P51681 1/20 0.34

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
SCHEMBL25040866 0.84 MMP2 (0.41) MMP2MMP3MMP1MMP9MMP13
SCHEMBL25040867 0.84 HRH3 (0.49) MMP2MMP3MMP1MMP9MMP13
SCHEMBL25040870 0.84 MMP2 (0.41) MMP2MMP3MMP1MMP9MMP13
SCHEMBL25747834 0.82 CYP1A2 (0.44) ALDH1A1MAPT
SCHEMBL25747761 0.80 MMP3 (0.44) MMP2MMP3MMP1MMP9MMP13
SCHEMBL25747764 0.78 F2 (0.45) CA12CA1CA2CA9
SCHEMBL25040868 0.75 BCHE (0.40) MMP2MMP3CA12CA1CA2
SCHEMBL16351521 0.72 HDAC1 (0.58) MMP2MMP3MMP1MMP9MMP13
SCHEMBL6098475 0.70 ERN1 (0.50) MMP2MMP3MMP1MMP9MMP13
SCHEMBL4731733 0.69 MAPT (0.47) MMP2MMP3HRH3ALDH1A1MAPT

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-20230278956-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2023-09-07 — — US disclosed
US-11691946-B2 Preparation of Trifarotene and intermediates and polymorphs thereof TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2023-07-04 — — 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 (2 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-20230278956-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF UGT1A4, TBK1, UGT1A7 MMP2 4033/4885MMP3 4655/4885MMP1 4845/4885
US-11691946-B2 Preparation of Trifarotene and intermediates and polymorphs thereof UGT1A4, TBK1, UGT1A7 MMP2 4033/4885MMP3 4655/4885MMP1 4845/4885

“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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