SCHEMBL3383898

SCHEMBL3383898

O=C(O)Cc1ccccc1C(Cl)Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.57
TDP1 Q9NUW8 1/20 0.50
CXCL8 P10145 6/20 0.47
PTGS2 P35354 2/20 0.45
AKR1B10 O60218 1/20 0.45
UGT1A9 O60656 1/20 0.45
TRPA1 O75762 1/20 0.45
ABCB11 O95342 1/20 0.45
MT-CO2 P00403 1/20 0.45
TTR P02766 1/20 0.45
ALB P02768 1/20 0.45
UGT1A6 P19224 1/20 0.45
UGT1A1 P22309 1/20 0.45
PTGS1 P23219 1/20 0.45
CXCR1 P25024 1/20 0.45
ADRA1A P35348 1/20 0.45
AGTR2 P50052 1/20 0.45
NR1I3 Q14994 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
NR1H4 Q96RI1 1/20 0.45

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
SCHEMBL11691929 0.84 AKR1B1 (0.53) AKR1B1TDP1CXCL8PTGS2AKR1B10
SCHEMBL2554055 0.82 AKR1B1 (0.55) AKR1B1TDP1CXCL8PTGS2BCAT2
SCHEMBL18301679 0.82 AKR1B1 (0.55) AKR1B1TDP1CXCL8PTGS2AKR1B10
SCHEMBL29718755 0.82 AKR1B1 (0.55) AKR1B1TDP1CXCL8PTGS2AKR1B10
SCHEMBL8573806 0.80 AKR1B1 (0.64) AKR1B1TDP1CXCL8PTGS2AKR1B10
Hydrochloric Acid SCHEMBL10582878 0.80 AKR1B1 (0.53) AKR1B1TDP1CXCL8PTGS2BCAT2
SCHEMBL29410826 0.79 AKR1B1 (0.76) AKR1B1TDP1CXCL8PTGS2AKR1B10
SCHEMBL30359 0.79 AKR1B1 (0.76) AKR1B1TDP1CXCL8PTGS2AKR1B10
SCHEMBL2004084 0.79 AKR1B1 (0.52) AKR1B1TDP1CXCL8PTGS2AKR1B10
SCHEMBL11669660 0.79 AKR1B1 (0.52) AKR1B1TDP1CXCL8PTGS2PTGS1

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
EP-1072580-B1 PROCESS FOR PRODUCING CHLOROMETHYLPHENYLACETIC ACID IHARA CHEMICAL IND CO (JP) 2010-12-01 EP disclosed
US-7491834-B2 Chemical process SYNGENTA CROP PROTECTION, INC. (US) 2009-02-17 US disclosed
US-20060163159-A1 Chemical process SYNGENTA CROP PROTECTION, INC. 2006-07-27 US disclosed
EP-1506184-A2 PROCESS FOR THE PREPARATION OF 3-ISOCHROMANONE Syngenta Limited (GB) 2005-02-16 EP disclosed
WO-2003095442-A2 PROCESS FOR THE PREPARATION OF 3-ISOCHROMANONE SYNGENTA LIMITED (GB) 2003-11-20 WO disclosed
US-6414186-B1 REACTING METHYLPHENYLACETIC ACID WITH CHLORINE GAS, IN INERT SOLVENT, UNDER IRRADIATION WITH LIGHT OR IN PRESENCE OF RADICAL INITIATOR IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2002-07-02 US disclosed
EP-1072580-A1 PROCESS FOR PRODUCING CHLOROMETHYLPHENYLACETIC ACID Ihara Nikkei Chemical Industry Co., Ltd. (JP) 2001-01-31 EP disclosed
US-5112928-A Coordination catalysts containing aluminum, vanadium and transition metal compounds BASF AKTIENGESELLSCHAFT (DE) 1992-05-12 US 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 (1 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-20060163159-A1 Chemical process HAO2, OGDH, TST AKR1B1 2477/4885TDP1 4044/4885CXCL8 4340/4885

“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.