SCHEMBL21647673

SCHEMBL21647673

CCOC(=O)CCCCC1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.49
DRD2 P14416 9/20 0.43
ALDH1A1 P00352 3/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
EPHX1 P07099 2/20 0.43
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
DRD3 P35462 2/20 0.41
BTK Q06187 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
CTSK P43235 2/20 0.38

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
SCHEMBL23440822 1.00 SMYD3 (0.49) SMYD3DRD2ALDH1A1USP2ALOX15
SCHEMBL25042067 0.91 SMYD3 (0.46) SMYD3DRD2ALDH1A1EPHX1KDM1A
SCHEMBL31205818 0.91 SMYD3 (0.46) SMYD3DRD2ALDH1A1EPHX1KDM1A
SCHEMBL227250 0.84 DRD2 (0.45) SMYD3DRD2ALDH1A1EPHX1KDM1A
SCHEMBL227251 0.84 DRD2 (0.45) SMYD3DRD2ALDH1A1EPHX1KDM1A
SCHEMBL4804312 0.84 ALDH1A1 (0.45) SMYD3ALDH1A1USP2ALOX15TDP1
SCHEMBL14231252 0.82 DRD2 (0.47) DRD2ALDH1A1EPHX1KDM1AMAOB
SCHEMBL19445904 0.82 DRD2 (0.49) DRD2ALDH1A1EPHX1KDM1AMAOB
SCHEMBL4805695 0.81 DRD2 (0.46) DRD2EPHX1KDM1AMAOBDRD3
SCHEMBL4805690 0.81 DRD2 (0.46) DRD2EPHX1KDM1AMAOBDRD3

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 SMYD3 3349/4885DRD2 2693/4885ALDH1A1 1189/4885
US-11261154-B2 Benzene derivative PMP22, TMBIM6, MYT1 SMYD3 3349/4885DRD2 2693/4885ALDH1A1 1189/4885
US-20250188023-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 SMYD3 3297/4885DRD2 2586/4885ALDH1A1 1203/4885
US-20210332009-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 SMYD3 3349/4885DRD2 2693/4885ALDH1A1 1189/4885
US-20220089532-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 SMYD3 3349/4885DRD2 2693/4885ALDH1A1 1189/4885

“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.