SCHEMBL25040490

SCHEMBL25040490

CC(=O)OCCOc1ccc(-c2ccc(C#N)cc2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.50
▸ MMP3 P08254 7/20 0.44
▸ MMP2 P08253 6/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KIF11 P52732 1/20 0.42
▸ MMP1 P03956 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ CTSA P10619 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ RARA P10276 1/20 0.39
▸ RARB P10826 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ KDM1A O60341 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
SCHEMBL25747761 0.85 MMP3 (0.44) HRH3MMP3MMP2ALDH1A1MAPT
SCHEMBL23499617 0.85 MMP3 (0.44) HRH3MMP3MMP2ALDH1A1MAPT
SCHEMBL25040486 0.85 MMP2 (0.44) MMP3MMP2ALDH1A1MAPTMMP1
SCHEMBL25747856 0.84 L3MBTL1 (0.43) ALDH1A1MAPTCTSARARARARB
SCHEMBL25040493 0.81 PDE4A (0.50) —
SCHEMBL15499160 0.80 MAPT (0.45) MMP3MMP2ALDH1A1MAPTMMP1
SCHEMBL25040867 0.80 HRH3 (0.49) HRH3MMP3MMP2KIF11MMP1
SCHEMBL7228479 0.79 HRH3 (0.56) HRH3MMP3MMP2KIF11MMP1
SCHEMBL9062436 0.78 HRH3 (0.55) HRH3ALDH1A1KIF11RARARARB
SCHEMBL15499159 0.77 MAPT (0.44) MMP3MMP2ALDH1A1MAPTMMP1

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 4831/4885MMP3 4655/4885MMP2 4033/4885
US-20230278956-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF UGT1A4, TBK1, UGT1A7 HRH3 4831/4885MMP3 4655/4885MMP2 4033/4885
US-11691946-B2 Preparation of Trifarotene and intermediates and polymorphs thereof UGT1A4, TBK1, UGT1A7 HRH3 4831/4885MMP3 4655/4885MMP2 4033/4885

“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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