SCHEMBL17400045

SCHEMBL17400045

COC(=O)c1ccc(CCCc2nc(OC)ccc2Br)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CXCR2 P25025 4/20 0.33
▸ MAPK10 P53779 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ HKDC1 Q2TB90 1/20 0.32
▸ LIPE Q05469 3/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ P4HB P07237 1/20 0.31

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
SCHEMBL17429704 0.90 UCHL1 (0.33) UCHL1ALDH1A1KDM4ECXCR2MAPK10
SCHEMBL17400118 0.83 LIPG (0.37) UCHL1ALDH1A1KDM4ECXCR2LIPE
SCHEMBL17385991 0.83 UCHL1 (0.39) UCHL1ALDH1A1KDM4ECXCR2USP2
SCHEMBL17429645 0.82 TDP1 (0.35) UCHL1ALDH1A1KDM4ECXCR2MAPK10
SCHEMBL19810704 0.81 CCR6 (0.45) ALDH1A1KDM4EMAPK10USP2CCR6
SCHEMBL17385776 0.77 UCHL1 (0.38) UCHL1ALDH1A1KDM4ECXCR2USP2
SCHEMBL17429652 0.77 UCHL1 (0.33) UCHL1ALDH1A1KDM4ECXCR2MAPK10
SCHEMBL17429651 0.76 CYP4A11 (0.38) UCHL1ALDH1A1KDM4ECXCR2GAA
SCHEMBL17429702 0.76 CXCR2 (0.35) UCHL1ALDH1A1CXCR2LIPEMTNR1A
SCHEMBL18362455 0.75 CXCR2 (0.39) UCHL1ALDH1A1KDM4ECXCR2LIPE

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 UCHL1 4494/4885ALDH1A1 2066/4885KDM4E 3682/4885

“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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