SCHEMBL6001791

SCHEMBL6001791

CCCCC(O)c1ncc2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ CYSLTR2 Q9NS75 2/20 0.45
▸ CYSLTR1 Q9Y271 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALOX5 P09917 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GMNN O75496 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ PTGS1 P23219 1/20 0.45

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
SCHEMBL8218133 0.83 TLR8 (0.38) GPBAR1ALDH1A1MAPK1CYSLTR2CYSLTR1
SCHEMBL30402217 0.80 GPBAR1 (0.42) GPBAR1ALDH1A1MAPK1CYSLTR2CYSLTR1
SCHEMBL3021081 0.79 GPBAR1 (0.41) GPBAR1ALDH1A1MAPK1CYSLTR2CYSLTR1
SCHEMBL30746985 0.79 GPBAR1 (0.41) GPBAR1ALDH1A1MAPK1CYSLTR2CYSLTR1
SCHEMBL30746954 0.78 TLR8 (0.41) GPBAR1ALDH1A1MAPK1CYSLTR2CYSLTR1
SCHEMBL30402892 0.78 TLR8 (0.41) GPBAR1ALDH1A1MAPK1CYSLTR2CYSLTR1
Hydrochloric Acid SCHEMBL30543224 0.78 GPBAR1 (0.40) GPBAR1ALDH1A1MAPK1CYSLTR2CYSLTR1
SCHEMBL30543203 0.78 TLR8 (0.41) GPBAR1ALDH1A1MAPK1CYSLTR2CYSLTR1
SCHEMBL26479716 0.78 CYP1A2 (0.40) GPBAR1CYSLTR2CYSLTR1CYP1A2TLR8
SCHEMBL14505627 0.73 CYP1A2 (0.42) GPBAR1CYSLTR1CYP1A2TSHRTLR8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 — — 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 (1 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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods HPSE, ENGASE, UGCG GPBAR1 3306/4885ALDH1A1 2033/4885MAPK1 2185/4885

“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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