SCHEMBL21647800

SCHEMBL21647800

OCCc1cccc([C@H](Cc2ccccc2)OC2CCCCO2)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.36
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ PTGER4 P35408 1/20 0.34
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CHRM1 P11229 1/20 0.32
▸ MGLL Q99685 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
SCHEMBL30409321 1.00 KIF11 (0.36) KIF11CYP4F2CYP4A11SLC6A3KDM4C
SCHEMBL21647801 1.00 KIF11 (0.36) KIF11CYP4F2CYP4A11SLC6A3KDM4C
SCHEMBL21647751 0.91 KDM4C (0.34) KIF11SLC6A3KDM4CPTGER4ITGB1
SCHEMBL21647752 0.91 KDM4C (0.34) KIF11SLC6A3KDM4CPTGER4ITGB1
SCHEMBL30409813 0.91 KDM4C (0.34) KIF11SLC6A3KDM4CPTGER4ITGB1
SCHEMBL23440867 0.86 SLC6A3 (0.39) SLC6A3PTGER4CHRM1
SCHEMBL23440869 0.86 SLC6A3 (0.39) SLC6A3PTGER4CHRM1
SCHEMBL23440879 0.85 FFAR4 (0.39) SLC6A3PTGER4
SCHEMBL23440877 0.85 FFAR4 (0.39) SLC6A3PTGER4
SCHEMBL29191914 0.83 PTGER4 (0.35) SLC6A3KDM4CPTGER4ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250188023-A1 BENZENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2025-06-12 — — US disclosed
US-12258308-B2 Benzene derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2025-03-25 — — US disclosed
CN-112513011-B Benzene derivatives 小野药品工业株式会社 2023-06-16 — — CN disclosed
US-20220089532-A1 BENZENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2022-03-24 — — US disclosed
US-11261154-B2 Benzene derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2022-03-01 — — US disclosed
US-20210332009-A1 BENZENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2021-10-28 — — US disclosed
EP-3831810-A1 BENZENE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2021-06-09 — — EP disclosed
CN-112513011-A Benzene derivatives 小野药品工业株式会社 2021-03-16 — — CN disclosed
WO-2020027150-A1 BENZENE DERIVATIVE 小野薬品工業株式会社 2020-02-06 — — WO 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 (5 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-12258308-B2 Benzene derivative PMP22, TMBIM6, MYT1 KIF11 3179/4885CYP4F2 2972/4885CYP4A11 2997/4885
US-11261154-B2 Benzene derivative PMP22, TMBIM6, MYT1 KIF11 3179/4885CYP4F2 2972/4885CYP4A11 2997/4885
US-20250188023-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 KIF11 3118/4885CYP4F2 2953/4885CYP4A11 2903/4885
US-20210332009-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 KIF11 3179/4885CYP4F2 2972/4885CYP4A11 2997/4885
US-20220089532-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 KIF11 3179/4885CYP4F2 2972/4885CYP4A11 2997/4885

“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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