SCHEMBL21647725

SCHEMBL21647725

CC(C)OC(=O)CCc1ccccc1OCCC=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.44
ADRB1 P08588 4/20 0.44
CYP2D6 P10635 3/20 0.40
HTR2A P28223 3/20 0.40
P2RY10 O00398 5/20 0.40
GPR34 Q9UPC5 2/20 0.40
PPARD Q03181 1/20 0.39
GPR174 Q9BXC1 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL21647771 0.80 PPARD (0.40) ADRB2ADRB1P2RY10GPR34PPARD
SCHEMBL1470873 0.79 FFAR4 (0.46) TSHR
SCHEMBL21647798 0.78 ADRB2 (0.39) ADRB2ADRB1P2RY10GPR34PPARD
SCHEMBL29483750 0.78 ADRB2 (0.39) ADRB2ADRB1P2RY10GPR34PPARD
SCHEMBL21647813 0.76 ADRB2 (0.40) ADRB2ADRB1
SCHEMBL18879981 0.76 TSHR (0.41) ADRB2ADRB1TSHR
SCHEMBL28599255 0.76 AKR1C3 (0.40) ADRB2ADRB1P2RY10GPR34PPARD
SCHEMBL28599256 0.76 AKR1C3 (0.40) ADRB2ADRB1P2RY10GPR34PPARD
SCHEMBL21647815 0.75 P2RY10 (0.37) ADRB2ADRB1P2RY10GPR34PPARD
SCHEMBL28612879 0.75 KDM4E (0.36) ADRB2ADRB1P2RY10GPR34PPARD

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 ADRB2 832/4885ADRB1 879/4885CYP2D6 968/4885
US-11261154-B2 Benzene derivative PMP22, TMBIM6, MYT1 ADRB2 832/4885ADRB1 879/4885CYP2D6 968/4885
US-20250188023-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 ADRB2 837/4885ADRB1 908/4885CYP2D6 959/4885
US-20210332009-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 ADRB2 832/4885ADRB1 879/4885CYP2D6 968/4885
US-20220089532-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 ADRB2 832/4885ADRB1 879/4885CYP2D6 968/4885

“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.