SCHEMBL23440869

SCHEMBL23440869

O=C(O)Cc1cccc(C(Cc2ccccc2)OC2CCCCO2)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 2/20 0.39
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CHRM1 P11229 2/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL23440867 1.00 SLC6A3 (0.39) SLC6A3CA1CA2CHRM1PTGER4
SCHEMBL29483744 0.88 SLC6A3 (0.38) SLC6A3PTGER4
SCHEMBL21647729 0.88 SLC6A3 (0.38) SLC6A3PTGER4
SCHEMBL23440877 0.86 FFAR4 (0.39) SLC6A3PTGER4
SCHEMBL23440879 0.86 FFAR4 (0.39) SLC6A3PTGER4
SCHEMBL21647801 0.86 KIF11 (0.36) SLC6A3CHRM1PTGER4
SCHEMBL21647800 0.86 KIF11 (0.36) SLC6A3CHRM1PTGER4
SCHEMBL30409321 0.86 KIF11 (0.36) SLC6A3CHRM1PTGER4
SCHEMBL21647752 0.81 KDM4C (0.34) SLC6A3PTGER4
SCHEMBL21647751 0.81 KDM4C (0.34) SLC6A3PTGER4

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-11261154-B2 Benzene derivative PMP22, TMBIM6, MYT1 SLC6A3 2855/4885CA1 4171/4885CA2 2728/4885
US-20210332009-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 SLC6A3 2855/4885CA1 4171/4885CA2 2728/4885
US-20220089532-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 SLC6A3 2855/4885CA1 4171/4885CA2 2728/4885

“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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