SCHEMBL21647786

SCHEMBL21647786

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.53
ADRB3 P13945 3/20 0.46
ADRB2 P07550 2/20 0.46
EPHX1 P07099 1/20 0.46
CYP1A2 P05177 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
CPA1 P15085 2/20 0.43
CPB1 P15086 1/20 0.43
CPA3 P15088 1/20 0.43
CPB2 Q96IY4 1/20 0.43
ADRB1 P08588 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.43
PTGS1 P23219 2/20 0.43
ABCC4 O15439 1/20 0.43
HTT P42858 1/20 0.43
CYP2C19 P33261 1/20 0.43
ACP3 P15309 1/20 0.42
ALPI P09923 1/20 0.42

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
SCHEMBL23440797 1.00 AKR1B1 (0.53) AKR1B1ADRB3ADRB2EPHX1CYP1A2
SCHEMBL22161006 0.84 AKR1B1 (0.55) AKR1B1ADRB3ADRB2CYP1A2LMNA
SCHEMBL23680088 0.84 AKR1B1 (0.54) AKR1B1ADRB3ADRB2CYP1A2LMNA
SCHEMBL11143478 0.83 EPHX1 (0.51) AKR1B1EPHX1CYP1A2CPA1CPB1
Hydrochloric Acid SCHEMBL9778060 0.83 PNMT (0.47) AKR1B1ADRB3ADRB2CYP1A2ADRB1
SCHEMBL3929106 0.81 AKR1B1 (0.55) AKR1B1ADRB3ADRB2CYP1A2LMNA
SCHEMBL28263669 0.80 AKR1B1 (0.54) AKR1B1ADRB3ADRB2CYP1A2LMNA
SCHEMBL30408970 0.79 SLC7A5 (0.45) ADRB3ADRB2ADRB1TSHRSLC7A5
SCHEMBL29483752 0.79 SLC7A5 (0.45) ADRB3ADRB2ADRB1TSHRSLC7A5
SCHEMBL28608667 0.79 SLC7A5 (0.45) ADRB3ADRB2ADRB1TSHRSLC7A5

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 5 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
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 (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 AKR1B1 2227/4885ADRB3 1124/4885ADRB2 832/4885
US-20210332009-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 AKR1B1 2227/4885ADRB3 1124/4885ADRB2 832/4885
US-20220089532-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 AKR1B1 2227/4885ADRB3 1124/4885ADRB2 832/4885

“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.