Sugi Predict

Sugi Predict / Compounds / SCHEMBL1758485

SCHEMBL1758485

SCHEMBL1758485

O=[C]Cc1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.46
▸ SRD5A2 P31213 1/20 0.43
▸ IDO1 P14902 2/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP26A1 O43174 1/20 0.37
▸ DAO P14920 1/20 0.37
▸ PDE2A O00408 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MPO P05164 1/20 0.36
▸ POLQ O75417 4/20 0.35
▸ PIEZO1 Q92508 1/20 0.34

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
SCHEMBL18978864 0.83 IDO1 (0.54) CES2IDO1DAOPDE2A
SCHEMBL24147012 0.81 CES2 (0.42) CES2SRD5A2IDO1CYP3A4CYP2D6
SCHEMBL1758523 0.80 IDO1 (0.40) CES2IDO1CYP3A4CYP2D6DAO
SCHEMBL1758654 0.80 NOS3 (0.43) CYP3A4CYP2D6POLQPIEZO1
SCHEMBL18978942 0.80 IDO1 (0.40) IDO1CYP3A4CYP2D6DAOPDE2A
SCHEMBL1759049 0.80 SLC6A4 (0.43) IDO1CYP3A4DAOPDE2AALDH1A1
SCHEMBL28196892 0.79 IDO1 (0.54) CES2IDO1DAOPDE2APOLQ
SCHEMBL12593467 0.79 CES2 (0.50) CES2SRD5A2IDO1CYP3A4CYP2D6
SCHEMBL5252357 0.78 CES2 (0.48) CES2SRD5A2IDO1CYP3A4CYP2D6
SCHEMBL8883258 0.76 CES2 (0.47) CES2SRD5A2IDO1CYP3A4CYP2D6

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
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
US-20200399263-A1 PROCESS FOR PREPARING 1, 2-BENZENEDIMETHANOL COMPOUND BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2020-12-24 — — US disclosed
CN-106687459-B Condensed 11-membered ring compound and agricultural or horticultural fungicide containing the same SDS生物技术株式会社 2019-07-30 — — CN 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
EP-2493886-B1 HETEROARYL PIPERIDINE AND PIPERAZINE DERIVATES BAYER CROPSCIENCE AG (DE) 2014-11-26 — — EP disclosed
US-8501781-B2 Heteroarylpiperidine and -piperazine derivatives BAYER CROPSCIENCE AG (DE) 2013-08-06 — — US disclosed
EP-2493886-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES Bayer CropScience AG (DE) 2012-09-05 — — EP disclosed
US-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives BAYER CROPSCIENCE AG (DE) 2011-12-15 — — US disclosed
WO-2011051244-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-05-05 — — 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 (6 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 CES2 1287/4885SRD5A2 95/4885IDO1 1584/4885
US-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives CAT, DPM1, ERG28 CES2 1899/4885SRD5A2 2505/4885IDO1 513/4885
US-20200399263-A1 PROCESS FOR PREPARING 1, 2-BENZENEDIMETHANOL COMPOUND ADH1A, ADH1C, CYP2E1 CES2 392/4885SRD5A2 39/4885IDO1 1832/4885
US-10104891-B2 Fused 11-membered compounds and agricultural/horticultural fungicides containing them CYP51A1, CYP4Z1, ERG28 CES2 1287/4885SRD5A2 95/4885IDO1 1584/4885
US-20180235225-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM CYP51A1, CYP4Z1, ERG28 CES2 1287/4885SRD5A2 95/4885IDO1 1584/4885
US-11274076-B2 Process for preparing 1, 2-benzenedimethanol compound ADH1A, ADH1C, CYP2E1 CES2 392/4885SRD5A2 39/4885IDO1 1832/4885

“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.