SCHEMBL167946

SCHEMBL167946

O=C(O)CC1(C(=O)O)CCOc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.47
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 4/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
NOTUM Q6P988 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 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
SCHEMBL29579029 1.00 AKR1B1 (0.47) AKR1B1ALDH1A1GAAKMT2AMAPT
SCHEMBL27876435 0.83 AKR1B1 (0.35) AKR1B1ALDH1A1GAAKMT2AMAPT
SCHEMBL8792995 0.81 AKR1B1 (0.50) AKR1B1ALDH1A1GAAKMT2AMAPT
SCHEMBL8794472 0.80 AKR1B1 (0.49) AKR1B1ALDH1A1GAAKMT2AMAPT
SCHEMBL8794218 0.80 AKR1B1 (0.49) AKR1B1ALDH1A1GAAKMT2AMAPT
SCHEMBL8793940 0.80 AKR1B1 (0.49) AKR1B1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL8792757 0.80 AKR1B1 (0.49) AKR1B1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL8794562 0.80 AKR1B1 (0.43) AKR1B1ALDH1A1GAAKMT2AMAPT
SCHEMBL8795191 0.80 AKR1B1 (0.49) AKR1B1ALDH1A1KMT2AMAPTHTT
SCHEMBL8794386 0.80 AKR1B1 (0.70) AKR1B1MAPT

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 1509 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240049711-A1 HERBICIDE COMPOSITION AND WEED CONTROLLING METHOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-02-15 US claimed
WO-2022138632-A1 HERBICIDE COMPOSITION AND WEED CONTROLLING METHOD 住友化学株式会社 2022-06-30 WO claimed
EP-2215909-B1 HERBICIDAL MIXTURES BASF SE (DE) 2018-06-20 EP claimed
EP-2099751-B1 BIPHENYL-SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER IP GMBH (DE) 2018-05-30 EP claimed
EP-2406216-B1 HALOGENALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS BAYER IP GMBH (DE) 2017-04-19 EP claimed
EP-2334175-B1 PHENYL-SUBSTITUTED BICYCLOOCTANE 1,3 DIONE DERIVATIVES BAYER IP GMBH (DE) 2017-03-01 EP claimed
EP-1734823-B2 SYNERGISTICALLY ACTING HERBICIDAL MIXTURES BASF AGROCHEMICAL PRODUCTS BV (NL) 2017-02-22 EP claimed
EP-2635550-B1 PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE-DERIVATIVES BAYER IP GMBH (DE) 2016-01-27 EP claimed
US-20160000076-A1 Fungicidal Active Compound Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-07 US claimed
EP-1608222-B1 HERBICIDAL MIXTURES BASF SE (DE) 2015-12-23 EP claimed
EP-1367888-A2 SELECTIVE SUBSTITUTED ARYL KETONE AND SAFENER BASED HERBICIDES Bayer CropScience AG (DE) 2003-12-10 EP claimed
US-20030211942-A1 Aryl sulfonyl amino carbonyl triazole based selective herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-11-13 US claimed
CN-1449247-A Selective herbicides based on arylsulfonylaminocarbonyl triazolinones BAYER AG (DE) 2003-10-15 CN claimed
EP-1303189-A1 ARYL SULFONYL AMINO CARBONYL TRIAZOLE BASED SELECTIVE HERBICIDES Bayer CropScience AG (DE) 2003-04-23 EP claimed
WO-2003013249-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED CYCLIC KETO-ENOLS AND SAFENERS BAYER CROPSCIENCE AG (DE) 2003-02-20 WO claimed
WO-2002063957-A2 SELECTIVE SUBSTITUTED ARYL KETONE AND SAFENER BASED HERBICIDES BAYER CROPSCIENCE AG (DE) 2002-08-22 WO claimed
WO-2002001957-A1 ARYL SULFONYL AMINO CARBONYL TRIAZOLE BASED SELECTIVE HERBICIDES BAYER CROPSCIENCE AG (DE) 2002-01-10 WO claimed
EP-0613618-B1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID CO (US) 1997-04-16 EP claimed
US-5407897-A Plant safening agents AMERICAN CYANAMID COMPANY (US) 1995-04-18 US claimed
EP-0613618-A1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID COMPANY (US) 1994-09-07 EP claimed

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-20240049711-A1 HERBICIDE COMPOSITION AND WEED CONTROLLING METHOD HADHB, HADHA, ABAT AKR1B1 287/4885ALDH1A1 319/4885GAA 691/4885
US-20030211942-A1 Aryl sulfonyl amino carbonyl triazole based selective herbicides AADAC, CBR3, ABAT AKR1B1 1080/4885ALDH1A1 591/4885GAA 576/4885
US-20160000076-A1 Fungicidal Active Compound Combinations DDT, CYP4X1, CYP51A1 AKR1B1 1427/4885ALDH1A1 516/4885GAA 317/4885

“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.