SCHEMBL19166902

SCHEMBL19166902

CCCCCc1cc(CC(C)=O)cc(CCCCC)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.41
▸ ALOX5 P09917 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TYR P14679 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ RARB P10826 2/20 0.38
▸ RARA P10276 1/20 0.38
▸ RARG P13631 1/20 0.38
▸ PTGS2 P35354 3/20 0.38
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HCAR3 P49019 1/20 0.36

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
SCHEMBL19166233 0.98 GPR84 (0.47) GPR84ALDH1A1ALOX5CYP3A4TSHR
SCHEMBL19166235 0.90 GPR84 (0.50) GPR84ALDH1A1ALOX5CYP3A4TSHR
SCHEMBL16050400 0.87 ALDH1A1 (0.57) GPR84ALDH1A1ALOX5CYP3A4TSHR
SCHEMBL16050565 0.85 ALDH1A1 (0.56) GPR84ALDH1A1ALOX5CYP3A4TSHR
SCHEMBL20978824 0.85 ALDH1A1 (0.56) GPR84ALDH1A1ALOX5CYP3A4TSHR
SCHEMBL28552335 0.85 ALDH1A1 (0.56) GPR84ALDH1A1ALOX5CYP3A4TSHR
SCHEMBL19166232 0.85 GPR84 (0.50) GPR84ALDH1A1ALOX5CYP3A4TSHR
SCHEMBL17678267 0.84 GPR84 (0.50) GPR84ALDH1A1ALOX5CYP3A4TSHR
SCHEMBL28548442 0.84 ALDH1A1 (0.54) GPR84ALDH1A1ALOX5CYP3A4TSHR
SCHEMBL19166810 0.83 GPR84 (0.49) GPR84ALOX5CYP3A4TSHRMEN1

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 2125/4885ALDH1A1 165/4885ALOX5 1136/4885
US-20170209399-A1 Substituted Aromatic Compounds and Pharmaceutical Compositions For The Prevention And Treatment Of Diabetes GPR119, LIPC, INSR GPR84 1382/4885ALDH1A1 1302/4885ALOX5 1146/4885

“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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