SCHEMBL19166235

SCHEMBL19166235

CCCCCc1cc(CCCCC)c(F)c(CC(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 2/20 0.50
▸ PTGS2 P35354 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ RARB P10826 3/20 0.40
▸ RARA P10276 1/20 0.40
▸ RARG P13631 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TYR P14679 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ THRA P10827 1/20 0.38
▸ THRB P10828 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
SCHEMBL19166902 0.90 GPR84 (0.49) GPR84PTGS2CYP3A4ALDH1A1RARB
SCHEMBL19166233 0.89 GPR84 (0.47) GPR84PTGS2CYP3A4ALDH1A1RARB
SCHEMBL17672771 0.88 ALDH1A1 (0.54) GPR84PTGS2CYP3A4ALDH1A1RARB
SCHEMBL17672982 0.85 GPR84 (0.67) GPR84PTGS2CYP3A4ALDH1A1RARB
SCHEMBL19166809 0.83 GPR84 (0.51) GPR84PTGS2CYP3A4ALDH1A1ALOX5
SCHEMBL19542666 0.83 BID (0.48) PTGS2ALDH1A1ALOX5MAPTALOX15
SCHEMBL19166230 0.81 PTGS2 (0.50) GPR84PTGS2CYP3A4ALDH1A1TP53
SCHEMBL16050400 0.81 ALDH1A1 (0.57) GPR84CYP3A4ALDH1A1RARBRARA
SCHEMBL17672767 0.80 PTGS2 (0.48) GPR84PTGS2CYP3A4ALDH1A1MEN1
SCHEMBL16050565 0.79 ALDH1A1 (0.56) GPR84CYP3A4ALDH1A1RARBRARA

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-20170312237-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TISSUE SELF-REPAIR AND REGENERATION Liminal Biosciences Limited (GB) 2017-11-02 — — US disclosed
US-20170209399-A1 Substituted Aromatic Compounds and Pharmaceutical Compositions For The Prevention And Treatment Of Diabetes PROMETIC PHARMA SMT LIMITED (GB) 2017-07-27 — — 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-20170312237-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TISSUE SELF-REPAIR AND REGENERATION CCNH, COL1A1, COL2A1 GPR84 2125/4885PTGS2 263/4885CYP3A4 2283/4885
US-20170209399-A1 Substituted Aromatic Compounds and Pharmaceutical Compositions For The Prevention And Treatment Of Diabetes GPR119, LIPC, INSR GPR84 1382/4885PTGS2 2425/4885CYP3A4 571/4885

“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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