SCHEMBL19979063

SCHEMBL19979063

O=C(Oc1cccc(Cl)c1C(Cl)Cl)C(Cl)(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPT P10636 1/20 0.35
AKR1B1 P15121 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CXCL8 P10145 1/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ELANE P08246 1/20 0.33
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
POLB P06746 1/20 0.32
PTK2B Q14289 1/20 0.31
BCHE P06276 1/20 0.31
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL19979064 0.81 ALDH1A1 (0.39) ALDH1A1AKR1B1ESR1ESR2CXCL8
SCHEMBL19979061 0.77 MRGPRX4 (0.43) ALDH1A1MAPTKMT2ALMNAHPGD
SCHEMBL19983979 0.69 MEN1 (0.38) ALDH1A1CXCL8KMT2ALMNAMEN1
SCHEMBL988052 0.68 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AHPGDFABP5
SCHEMBL11232961 0.68 POLB (0.51) ALDH1A1MAPTKMT2ALMNAELANE
SCHEMBL28544109 0.68 TSHR (0.40) ALDH1A1MAPTAKR1B1ESR1ESR2
SCHEMBL28853254 0.68 TSHR (0.36) MAPTKMT2AELANEMEN1TSHR
SCHEMBL5368610 0.67 CYP1A2 (0.45) ALDH1A1AKR1B1KMT2ALMNAMEN1
SCHEMBL9487802 0.67 CA1 (0.50) ALDH1A1MAPTKMT2ALMNAELANE
SCHEMBL11217399 0.67 NFE2L2 (0.49) MAPTLMNAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110035992-B Process for preparing 3-substituted 2-vinylphenyl sulfonates 拜耳作物科学股份公司 2022-04-05 CN disclosed
CN-107406374-B Process for preparing 3-chloro-2-vinylphenyl sulfonate 拜耳作物科学股份公司 2020-07-14 CN disclosed
US-10618872-B2 Process for preparing 3-chloro-2-vinylphenylsulfonates BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-04-14 US disclosed
EP-3548463-A1 METHOD FOR PRODUCING 3-SUBSTITUTED 2-VINYLPHENYLSULFONATES Bayer CropScience Aktiengesellschaft (DE) 2019-10-09 EP disclosed
EP-3265439-B1 PROCESS FOR PREPARING 3-CHLORO-2-VINYLPHENYLSULFONATES BAYER CROPSCIENCE AG (DE) 2019-03-27 EP disclosed
US-20180079717-A1 PROCESS FOR PREPARING 3-CHLORO-2-VINYLPHENYLSULFONATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-22 US disclosed
US-20180079717-A1 PROCESS FOR PREPARING 3-CHLORO-2-VINYLPHENYLSULFONATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-22 US disclosed
CN-107406374-A Process for preparing 3-chloro-2-vinylphenyl sulfonate 拜耳作物科学股份公司 2017-11-28 CN 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 (2 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-20180079717-A1 PROCESS FOR PREPARING 3-CHLORO-2-VINYLPHENYLSULFONATES AGPS, VARS1, VPS4B ALDH1A1 3434/4885MAPT 4617/4885AKR1B1 3452/4885
US-10618872-B2 Process for preparing 3-chloro-2-vinylphenylsulfonates AGPS, VARS1, VPS4B ALDH1A1 3434/4885MAPT 4617/4885AKR1B1 3452/4885

“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.