SCHEMBL17400118

SCHEMBL17400118

COC(=O)c1ccc(CCCc2cccc(OC)n2)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 1/20 0.37
▸ CXCR2 P25025 2/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ MTNR1A P48039 3/20 0.34
▸ MTNR1B P49286 3/20 0.34
▸ LIPE Q05469 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ UCHL1 P09936 1/20 0.34
▸ NQO2 P16083 2/20 0.33
▸ CYP4F2 P78329 2/20 0.33
▸ CYP4A11 Q02928 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ WDR5 P61964 1/20 0.33
▸ ABHD6 Q9BV23 1/20 0.32
▸ TRPM5 Q9NZQ8 1/20 0.32

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
SCHEMBL17429702 0.89 CXCR2 (0.35) CXCR2ALOX5MTNR1AMTNR1BLIPE
SCHEMBL17400045 0.83 UCHL1 (0.33) CXCR2MTNR1AMTNR1BLIPEKDM4E
SCHEMBL17386132 0.80 MTNR1A (0.45) MTNR1AMTNR1BCYP4F2CYP4A11
SCHEMBL17386160 0.79 P4HB (0.44) LIPGMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL17429646 0.79 CYP4A11 (0.45) LIPGKDM4EALDH1A1NQO2CYP4F2
SCHEMBL17429651 0.78 CYP4A11 (0.38) CXCR2ALOX5KDM4EALDH1A1UCHL1
SCHEMBL18362455 0.77 CXCR2 (0.39) CXCR2ALOX5LIPEKDM4EALDH1A1
SCHEMBL17385991 0.77 UCHL1 (0.39) CXCR2MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL23795687 0.76 UCHL1 (0.41) ALOX5KDM4EALDH1A1UCHL1
SCHEMBL17429704 0.76 UCHL1 (0.33) CXCR2KDM4EALDH1A1UCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643946-B2 Tricyclic compound and use thereof SK CHEMICALS CO., LTD. (KR) 2017-05-09 — — US disclosed
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF SK CHEMICALS CO., LTD. (KR) 2016-01-14 — — US disclosed
EP-2963027-A1 TRICYCLIC COMPOUND AND USE THEREOF SK Chemicals Co., Ltd. (KR) 2016-01-06 — — EP 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-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF GPR65, GPR119, GPR35 LIPG 1522/4885CXCR2 461/4885ALOX5 664/4885

“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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