SCHEMBL17385991

SCHEMBL17385991

COC(=O)c1ccc(CCCc2cc(OC)ccc2Br)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 1/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CXCR2 P25025 1/20 0.36
▸ MTNR1A P48039 4/20 0.35
▸ MTNR1B P49286 3/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CCR6 P51684 1/20 0.34
▸ HKDC1 Q2TB90 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.33

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
SCHEMBL17429645 0.89 TDP1 (0.35) UCHL1ALDH1A1KDM4ECXCR2NPC1
SCHEMBL17385776 0.86 UCHL1 (0.38) UCHL1CA1CA2ALDH1A1KDM4E
SCHEMBL17386132 0.84 MTNR1A (0.45) CA1CA2HDAC1MTNR1AMTNR1B
SCHEMBL17400111 0.83 HDAC1 (0.36) UCHL1HDAC1KDM4ECXCR2MTNR1A
SCHEMBL17400045 0.83 UCHL1 (0.33) UCHL1ALDH1A1KDM4ECXCR2MTNR1A
SCHEMBL17429704 0.82 UCHL1 (0.33) UCHL1ALDH1A1KDM4ECXCR2KMT2A
SCHEMBL17418052 0.81 UCHL1 (0.40) UCHL1CA1CA2ALDH1A1CXCR2
SCHEMBL17429652 0.80 UCHL1 (0.33) UCHL1ALDH1A1KDM4ECXCR2CCR6
SCHEMBL17429651 0.79 CYP4A11 (0.38) UCHL1CA1CA2ALDH1A1KDM4E
SCHEMBL17386298 0.79 CXCR2 (0.34) UCHL1ALDH1A1KDM4ECXCR2POLB

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 7 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
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 4494/4885CA1 2727/4885CA2 1252/4885

“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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