SCHEMBL17386069

SCHEMBL17386069

COC(=O)c1ccc(CCCc2cccc(OC)c2)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ MTNR1A P48039 4/20 0.52
▸ MTNR1B P49286 4/20 0.52
▸ CYP4F2 P78329 2/20 0.51
▸ CYP4A11 Q02928 2/20 0.51
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ P4HB P07237 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46

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
SCHEMBL17429642 0.87 CYP4A11 (0.52) CYP4F2CYP4A11P4HBMEN1KMT2A
SCHEMBL17386083 0.85 P4HB (0.43) CYP4F2CYP4A11CA1CA2P4HB
SCHEMBL28231008 0.85 CYP4F2 (0.69) HDAC1HDAC6MTNR1AMTNR1BCYP4F2
SCHEMBL17386252 0.81 HDAC1 (0.50) HDAC1HDAC6MTNR1AMTNR1BMEN1
SCHEMBL17429649 0.80 P4HB (0.46) CYP4F2CYP4A11CA1CA2CA7
SCHEMBL17978223 0.79 ABCB1 (0.54) HDAC1HDAC6MTNR1AMTNR1BCYP4F2
SCHEMBL17386132 0.79 MTNR1A (0.45) HDAC1HDAC6MTNR1AMTNR1BCYP4F2
SCHEMBL17386160 0.77 P4HB (0.44) MTNR1AMTNR1BCYP4F2CYP4A11P4HB
SCHEMBL17429703 0.75 P4HB (0.45) CYP4F2CYP4A11P4HBMEN1KMT2A
SCHEMBL17385775 0.75 NPC1 (0.56) CYP4F2CYP4A11CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108017603-B Tricyclic compounds and uses thereof 株式会社蒂奥姆生物 2021-07-23 — — CN disclosed
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 HDAC1 965/4885HDAC6 1434/4885MTNR1A 336/4885

“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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