SCHEMBL17418052

SCHEMBL17418052

COC(=O)c1ccc(CCCc2cc(C)cc(OC)c2)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP4A11 Q02928 3/20 0.34
▸ CYP4F2 P78329 2/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ CXCR2 P25025 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ VDR P11473 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL17429651 0.93 CYP4A11 (0.38) UCHL1ALDH1A1CYP4A11CYP4F2CA1
SCHEMBL28607176 0.91 UCHL1 (0.39) UCHL1CA1CA2ESR1CYP19A1
SCHEMBL17386132 0.87 MTNR1A (0.45) CYP4A11CYP4F2CA1CA2KMT2A
SCHEMBL17429646 0.86 CYP4A11 (0.45) ALDH1A1CYP4A11CYP4F2MAPTKMT2A
SCHEMBL17385776 0.83 UCHL1 (0.38) UCHL1ALDH1A1CA1CA2CXCR2
SCHEMBL17386122 0.83 UCHL1 (0.39) UCHL1ALDH1A1CA1CA2MAPT
SCHEMBL17429652 0.83 UCHL1 (0.33) UCHL1ALDH1A1CYP4A11MAPTCXCR2
SCHEMBL17385991 0.81 UCHL1 (0.39) UCHL1ALDH1A1CA1CA2CXCR2
SCHEMBL17429645 0.80 TDP1 (0.35) UCHL1ALDH1A1MAPTCXCR2LMNA
SCHEMBL17386083 0.79 P4HB (0.43) ALDH1A1CYP4A11CYP4F2CA1CA2

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 4 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

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 2066/4885CYP4A11 159/4885

“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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