SCHEMBL17400111

SCHEMBL17400111

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(CCCc2cc(OC)ccc2Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.36
▸ MTNR1B P49286 3/20 0.35
▸ UCHL1 P09936 1/20 0.35
▸ CXCR2 P25025 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MTNR1A P48039 2/20 0.33
▸ HPGD P15428 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 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
SCHEMBL17400021 0.85 MTNR1A (0.43) HDAC1MTNR1BKMT2AMTNR1AKDM4E
SCHEMBL17385991 0.83 UCHL1 (0.39) HDAC1MTNR1BUCHL1CXCR2KMT2A
SCHEMBL22400626 0.75 ROCK1 (0.34) UCHL1CXCR2CYP3A4HPGDKDM4E
SCHEMBL22545497 0.73 ALDH1A1 (0.33) UCHL1CXCR2CYP3A4PKMKDM4E
SCHEMBL16113392 0.73 UCHL1 (0.33) UCHL1CXCR2PKMHPGDKDM4E
SCHEMBL17429645 0.73 TDP1 (0.35) UCHL1CXCR2HPGDKDM4E
SCHEMBL25287007 0.72 EGFR (0.41) UCHL1CXCR2KMT2AHPGDKDM4E
SCHEMBL2824939 0.72 KDM4E (0.46) UCHL1CYP1A2CYP2C19CYP3A4HPGD
SCHEMBL19946115 0.72 KDM4E (0.49) UCHL1CYP1A2CYP2C19CYP3A4PKM
SCHEMBL29853895 0.72 KDM4E (0.49) UCHL1CYP1A2CYP2C19CYP3A4PKM

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 5 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-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 HDAC1 965/4885MTNR1B 463/4885UCHL1 4494/4885

“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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