SCHEMBL17385776

SCHEMBL17385776

COC(=O)c1ccc(CCCc2cc(OC)cc(C)c2Br)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.35
▸ CYP2C9 P11712 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CXCR2 P25025 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ CCR6 P51684 1/20 0.31
▸ HKDC1 Q2TB90 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ APOBEC3A P31941 1/20 0.31
▸ APOBEC3G Q9HC16 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
SCHEMBL28602571 0.91 UCHL1 (0.36) UCHL1TSHRCXCR2LMNACA1
SCHEMBL17429652 0.90 UCHL1 (0.33) UCHL1ALDH1A1CXCR2KDM4ECCR6
SCHEMBL17385991 0.86 UCHL1 (0.39) UCHL1ALDH1A1CYP2C9CXCR2USP2
SCHEMBL17386366 0.86 UCHL1 (0.36) UCHL1ALDH1A1CYP2C9TSHRNPSR1
SCHEMBL17418052 0.83 UCHL1 (0.40) UCHL1ALDH1A1CXCR2USP2LMNA
SCHEMBL17429645 0.81 TDP1 (0.35) UCHL1ALDH1A1CXCR2LMNAHPGD
SCHEMBL17386132 0.80 MTNR1A (0.45) LMNACA1CA2KMT2AMEN1
SCHEMBL17429651 0.80 CYP4A11 (0.38) UCHL1ALDH1A1CYP2C9CXCR2CA1
SCHEMBL17386215 0.80 MAPK14 (0.33) UCHL1TSHRNPSR1CXCR2LMNA
SCHEMBL17429704 0.78 UCHL1 (0.33) UCHL1ALDH1A1CXCR2USP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2963027-B1 TRICYCLIC COMPOUND AND USE THEREOF TIUMBIO CO LTD (KR) 2018-12-26 — — EP disclosed
US-9643946-B2 Tricyclic compound and use thereof SK CHEMICALS CO., LTD. (KR) 2017-05-09 — — US disclosed
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
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 2066/4885CYP2C9 1812/4885

“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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