SCHEMBL17429652

SCHEMBL17429652

COC(=O)c1ccc(CCCc2cc(C)cc(C)c2Br)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
▸ CXCR2 P25025 4/20 0.33
▸ MAPT P10636 2/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ HKDC1 Q2TB90 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ ALOX5 P09917 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ P4HB P07237 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.30
▸ MAPK10 P53779 1/20 0.30
▸ NQO2 P16083 1/20 0.30
▸ MGLL Q99685 1/20 0.30

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
SCHEMBL17385776 0.90 UCHL1 (0.38) UCHL1CXCR2CCR6HKDC1MAPK14
SCHEMBL17429651 0.88 CYP4A11 (0.38) UCHL1CXCR2MAPTTDP1ALDH1A1
SCHEMBL17429645 0.87 TDP1 (0.35) UCHL1CXCR2MAPTCCR6HKDC1
SCHEMBL17429673 0.85 TDP1 (0.34) UCHL1CXCR2MAPTCCR6HKDC1
SCHEMBL17418052 0.83 UCHL1 (0.40) UCHL1CXCR2MAPTTDP1ALDH1A1
SCHEMBL28602571 0.81 UCHL1 (0.36) UCHL1CXCR2KDM4E
SCHEMBL17429646 0.81 CYP4A11 (0.45) MAPTALDH1A1TP53KDM4ECYP4A11
SCHEMBL17385991 0.80 UCHL1 (0.39) UCHL1CXCR2CCR6HKDC1ALDH1A1
SCHEMBL17429704 0.80 UCHL1 (0.33) UCHL1CXCR2MAPTCCR6HKDC1
SCHEMBL18362455 0.78 CXCR2 (0.39) UCHL1CXCR2MAPTALDH1A1ALOX5

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 2 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

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 4494/4885CXCR2 461/4885MAPT 2131/4885

“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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