SCHEMBL1758635

SCHEMBL1758635

Cc1ccc(Br)cc1C[C]=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 3/20 0.37
TAAR1 Q96RJ0 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SETDB1 Q15047 1/20 0.32
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL29133631 0.80 PYCR1 (0.47) PYCR1MAPTTP53POLBFFAR4
SCHEMBL15820796 0.80 CSNK2A1 (0.49) PYCR1MAPTTP53POLBFFAR4
SCHEMBL1758599 0.79 TAAR1 (0.55) TAAR1MAPTTP53POLBALDH1A1
SCHEMBL1758502 0.79 HSP90AA1 (0.41) PYCR1TAAR1ALDH1A1MAPK1HPGD
SCHEMBL8365116 0.79 SMN1; SMN2 (0.41) PYCR1MAPTTP53POLBFFAR4
SCHEMBL6773244 0.77 PYCR1 (0.38) PYCR1MAPTTP53POLBFFAR4
SCHEMBL1758646 0.76 TAAR1 (0.34) TAAR1
SCHEMBL27485864 0.76 SLC6A4 (0.36) TAAR1MAPTMAPK1TSHR
SCHEMBL28327936 0.76 ALDH1A1 (0.47) POLBALDH1A1MEN1KMT2AHPGD
SCHEMBL4798349 0.75 PYCR1 (0.43) PYCR1ALDH1A1KMT2AMAPK1HPGD

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 16 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
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 PYCR1 889/4885TAAR1 4037/4885MAPT 1757/4885
US-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives CAT, DPM1, ERG28 PYCR1 2153/4885TAAR1 1732/4885MAPT 2992/4885
US-20200399263-A1 PROCESS FOR PREPARING 1, 2-BENZENEDIMETHANOL COMPOUND ADH1A, ADH1C, CYP2E1 PYCR1 4539/4885TAAR1 1393/4885MAPT 3757/4885
US-10104891-B2 Fused 11-membered compounds and agricultural/horticultural fungicides containing them CYP51A1, CYP4Z1, ERG28 PYCR1 889/4885TAAR1 4037/4885MAPT 1757/4885
US-20180235225-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM CYP51A1, CYP4Z1, ERG28 PYCR1 889/4885TAAR1 4037/4885MAPT 1757/4885
US-11274076-B2 Process for preparing 1, 2-benzenedimethanol compound ADH1A, ADH1C, CYP2E1 PYCR1 4539/4885TAAR1 1393/4885MAPT 3757/4885

“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.