SCHEMBL25040867

SCHEMBL25040867

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.49
▸ KIF11 P52732 1/20 0.43
▸ MMP3 P08254 7/20 0.41
▸ MMP2 P08253 6/20 0.41
▸ MMP1 P03956 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 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
SCHEMBL25747757 0.84 MMP2 (0.41) HRH3MMP3MMP2MMP1MMP9
SCHEMBL25040870 0.84 MMP2 (0.41) MMP3MMP2MMP1MMP9MMP13
SCHEMBL25040866 0.84 MMP2 (0.41) HRH3MMP3MMP2MMP1MMP9
SCHEMBL25747837 0.82 ALDH1A1 (0.38) HRH3
SCHEMBL7228479 0.81 HRH3 (0.56) HRH3KIF11MMP3MMP2MMP1
SCHEMBL25040490 0.80 HRH3 (0.50) HRH3KIF11MMP3MMP2MMP1
SCHEMBL25040918 0.78 ERN1 (0.47) —
SCHEMBL9062436 0.77 HRH3 (0.55) HRH3KIF11HDAC1HDAC2
SCHEMBL25040868 0.75 BCHE (0.40) MMP3MMP2
SCHEMBL9195885 0.73 MAOB (0.56) HRH3KIF11

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-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
US-20230051259-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2023-02-16 — — 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 (3 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-20230051259-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF UGT1A4, TBK1, UGT1A7 HRH3 4831/4885KIF11 2738/4885MMP3 4655/4885
US-20230278956-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF UGT1A4, TBK1, UGT1A7 HRH3 4831/4885KIF11 2738/4885MMP3 4655/4885
US-11691946-B2 Preparation of Trifarotene and intermediates and polymorphs thereof UGT1A4, TBK1, UGT1A7 HRH3 4831/4885KIF11 2738/4885MMP3 4655/4885

“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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