SCHEMBL18868804

SCHEMBL18868804

CCCCCCC(CCCCCC)c1cccc(O)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.41
▸ GPR84 Q9NQS5 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ LTB4R Q15722 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CSNK1E P49674 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
SCHEMBL19492509 1.00 KCNH2 (0.41) KCNH2GPR84NR1I2LTB4RMEN1
SCHEMBL23666479 0.97 KCNH2 (0.39) KCNH2GPR84NR1I2LTB4RMEN1
SCHEMBL23823161 0.94 NR1I2 (0.42) KCNH2GPR84NR1I2LTB4R
SCHEMBL19225741 0.87 NR1I2 (0.35) KCNH2NR1I2LTB4RALDH1A1
SCHEMBL20932716 0.85 GPR84 (0.47) KCNH2GPR84MEN1ALDH1A1MAPT
SCHEMBL23347114 0.81 KCNH2 (0.42) KCNH2NR1I2MAPTHTTCSNK1E
SCHEMBL23347040 0.81 KCNH2 (0.42) KCNH2NR1I2MAPTHTTCSNK1E
SCHEMBL18948440 0.81 KCNH2 (0.42) KCNH2NR1I2MAPTHTTCSNK1E
SCHEMBL21948607 0.80 KCNH2 (0.41) KCNH2NR1I2KMT2A
SCHEMBL24971835 0.80 MCHR1 (0.42) KCNH2NR1I2CSNK1E

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-20170136019-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-18 — — 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-20170136019-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 KCNH2 1375/4885GPR84 982/4885NR1I2 1074/4885

“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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