SCHEMBL18978960

SCHEMBL18978960

CS(=O)(=O)Oc1ccc(CO)c(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 2/20 0.40
CA2 P00918 4/20 0.40
CA12 O43570 2/20 0.40
CA5A P35218 2/20 0.39
MMP2 P08253 2/20 0.37
MMP7 P09237 2/20 0.37
MMP9 P14780 2/20 0.37
MMP14 P50281 2/20 0.37
MMP1 P03956 1/20 0.37
ALPL P05186 2/20 0.37
ALPI P09923 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
ENPP3 O14638 1/20 0.35
ENPP1 P22413 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
SCHEMBL29497689 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGAACA2
SCHEMBL7168198 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDGAACA2
SCHEMBL7420396 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGAACA2
SCHEMBL18978753 0.84 CA2 (0.43) ALDH1A1GAACA2CA12MMP2
SCHEMBL29497677 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGAACA2
SCHEMBL20582868 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGAACA2
SCHEMBL5662195 0.75 PTGS2 (0.47) ALDH1A1KDM4EHPGDGAACA2
SCHEMBL29497731 0.75 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDGAACA2
SCHEMBL20582864 0.75 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDGAACA2
SCHEMBL978183 0.75 PPARA (0.46) ALDH1A1KDM4EGAACA2CA12

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181563-B1 CONDENSED 11-MEMBER RING COMPOUND AND AGRICULTURE AND HORTICULTURAL FUNGICIDE COMPRISING SAME SDS BIOTECH CORP (JP) 2019-02-06 EP claimed
US-10104891-B2 Fused 11-membered compounds and agricultural/horticultural fungicides containing them SDS BIOTECH K.K. (JP) 2018-10-23 US claimed
US-20180235225-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2018-08-23 US claimed
US-20170231226-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM SDS BIOTECH K.K. (JP) 2017-08-17 US claimed
EP-3181563-A1 CONDENSED 11-MEMBER RING COMPOUND AND AGRICULTURE AND HORTICULTURAL FUNGICIDE COMPRISING SAME SDS Biotech K. K. (JP) 2017-06-21 EP claimed
CN-114702411-A Method for producing 1, 2-benzenedimethanol compound 高文作物保护公司 2022-07-05 CN disclosed
CN-108602765-B Method for producing 1, 2-benzenedimethanol compound 高文有限公司 2022-05-03 CN disclosed
US-11274076-B2 Process for preparing 1, 2-benzenedimethanol compound GOWAN COMPANY, L.L.C. (US) 2022-03-15 US disclosed
EP-3415496-B1 PROCESS FOR PREPARING 1,2-BENZENEDIMETHANOL COMPOUND GOWAN COMPANY L L C (US) 2021-07-21 EP disclosed
US-20200399263-A1 PROCESS FOR PREPARING 1, 2-BENZENEDIMETHANOL COMPOUND BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2020-12-24 US disclosed
EP-3181563-B1 CONDENSED 11-MEMBER RING COMPOUND AND AGRICULTURE AND HORTICULTURAL FUNGICIDE COMPRISING SAME SDS BIOTECH CORP (JP) 2019-02-06 EP disclosed
EP-3415496-A1 METHOD FOR PRODUCING 1, 2-BENZENE DIMETHANOL COMPOUND SDS Biotech K. K. (JP) 2018-12-19 EP disclosed
US-10104891-B2 Fused 11-membered compounds and agricultural/horticultural fungicides containing them SDS BIOTECH K.K. (JP) 2018-10-23 US disclosed
US-20180235225-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2018-08-23 US disclosed
US-9980487-B2 Fused 11-membered compounds and agricultural/horticultural fungicides containing them SDS BIOTECH K.K. (JP) 2018-05-29 US disclosed
US-20170231226-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM SDS BIOTECH K.K. (JP) 2017-08-17 US disclosed
EP-3181563-A1 CONDENSED 11-MEMBER RING COMPOUND AND AGRICULTURE AND HORTICULTURAL FUNGICIDE COMPRISING SAME SDS Biotech K. K. (JP) 2017-06-21 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 (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-20170231226-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM CYP51A1, CYP4Z1, ERG28 ALDH1A1 1607/4885KDM4E 922/4885HPGD 3068/4885
US-20200399263-A1 PROCESS FOR PREPARING 1, 2-BENZENEDIMETHANOL COMPOUND ADH1A, ADH1C, CYP2E1 ALDH1A1 50/4885KDM4E 3316/4885HPGD 866/4885
US-10104891-B2 Fused 11-membered compounds and agricultural/horticultural fungicides containing them CYP51A1, CYP4Z1, ERG28 ALDH1A1 1607/4885KDM4E 922/4885HPGD 3068/4885
US-20180235225-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM CYP51A1, CYP4Z1, ERG28 ALDH1A1 1607/4885KDM4E 922/4885HPGD 3068/4885
US-11274076-B2 Process for preparing 1, 2-benzenedimethanol compound ADH1A, ADH1C, CYP2E1 ALDH1A1 50/4885KDM4E 3316/4885HPGD 866/4885

“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.