SCHEMBL23823161

SCHEMBL23823161

CCCCCCC(CC)c1cccc(O)n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.42
▸ KCNH2 Q12809 1/20 0.39
▸ LTB4R Q15722 4/20 0.37
▸ GPR84 Q9NQS5 1/20 0.37
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35

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
SCHEMBL19225741 0.94 NR1I2 (0.35) NR1I2KCNH2LTB4R
SCHEMBL18868804 0.94 KCNH2 (0.41) NR1I2KCNH2LTB4RGPR84
SCHEMBL19492509 0.94 KCNH2 (0.41) NR1I2KCNH2LTB4RGPR84
SCHEMBL23666479 0.91 KCNH2 (0.39) NR1I2KCNH2LTB4RGPR84
SCHEMBL20932716 0.83 GPR84 (0.47) KCNH2GPR84
SCHEMBL22681518 0.81 NR1I2 (0.39) NR1I2KCNH2LTB4RPRSS1PRSS2
SCHEMBL22684510 0.81 MCHR1 (0.40) NR1I2KCNH2
SCHEMBL24805768 0.78 GPR84 (0.43) NR1I2GPR84
SCHEMBL23510582 0.78 NR1I2 (0.37) NR1I2KCNH2
SCHEMBL23347040 0.76 KCNH2 (0.42) NR1I2KCNH2

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-20210284632-A1 NOVEL PROCESSES FOR PREPARATION OF SOLUBLE GUANYLATE CYCLASE STIMULATORS IRONWOOD PHARMACEUTICALS, INC. 2021-09-16 — — 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 (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-20210284632-A1 NOVEL PROCESSES FOR PREPARATION OF SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1B1, GUCY1B2, GUCY1A2 NR1I2 4275/4885KCNH2 1177/4885LTB4R 1036/4885

“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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