SCHEMBL6273604

SCHEMBL6273604

Cc1cc(Cl)ccc1OC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
HTR2B P41595 1/20 0.60
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HIF1A Q16665 1/20 0.53
KDM4E B2RXH2 3/20 0.49
MRGPRX4 Q96LA9 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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
Hydrochloric Acid SCHEMBL11854026 0.98 TSHR (0.58) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL7932790 0.85 TSHR (0.57) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL132336 0.85 TSHR (0.56) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL11716516 0.85 TSHR (0.56) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL5712913 0.83 TSHR (0.54) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL29131709 0.82 TSHR (0.54) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL8766097 0.81 KMT2A (0.56) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL13342826 0.81 TSHR (0.57) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL8204812 0.81 KMT2A (0.54) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL13342735 0.80 TSHR (0.51) TSHRHTR2AHTR2CHTR2BCYP1A2

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-108947797-A A kind of preparation method of chlorine phenoxy carboxylic acid herbicides 山东润博生物科技有限公司 2018-12-07 CN claimed
CN-108947793-A A kind of preparation method of chlorine phenoxy carboxylic acid herbicides 山东润博生物科技有限公司 2018-12-07 CN claimed
CN-106070226-A A kind of ring pyrrole fluorine oxadiazon compositions and application thereof 泰安市农业科学研究院 2016-11-09 CN claimed
EP-1112375-B1 BIOSENSOR UNIV ABERDEEN (GB) 2005-12-21 EP claimed
CN-109265342-B Preparation method of diphenyl carbonate compound 中国石油化工股份有限公司 2021-04-13 CN disclosed
CN-108947793-A A kind of preparation method of chlorine phenoxy carboxylic acid herbicides 山东润博生物科技有限公司 2018-12-07 CN disclosed
CN-108947797-A A kind of preparation method of chlorine phenoxy carboxylic acid herbicides 山东润博生物科技有限公司 2018-12-07 CN disclosed
CN-106070226-A A kind of ring pyrrole fluorine oxadiazon compositions and application thereof 泰安市农业科学研究院 2016-11-09 CN disclosed
CN-102924237-A Method for preparing o-cresol and 2,6-dimethyl phenol in mode of reducing unit consumption of methanol BLUESTAR NEW CHEMICAL MATERIALS CO LTD 2013-02-13 CN disclosed
US-20080242544-A1 Phytoactive Composition MICAP PLC (GB) 2008-10-02 US disclosed
US-20080242544-A1 Phytoactive Composition MICAP PLC (GB) 2008-10-02 US disclosed
CN-1258521-C Method for preparing 2 metho 4 chlorine artificial half antigen, artificial antigen, specific antibody and application UNIV ZHEJIANG (CN) 2006-06-07 CN disclosed
US-5262385-A Pyrimidine ring containing MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-11-16 US disclosed
EP-0539462-A1 A METHOD FOR PREPARING 4-CHLORO-2-METHYLPHENOXYALKANOIC ACIDS KVK AGRO A/S (DK) 1993-05-05 EP disclosed
WO-1992001663-A1 A METHOD FOR PREPARING 4-CHLORO-2-METHYLPHENOXYALKANOIC ACIDS KVK AGRO A/S (DK) 1992-02-06 WO disclosed
EP-0468766-A1 Halogen-containing compounds, herbicidal composition containing the same as an active ingredient, and intermediary compounds therefor Mitsubishi Chemical Corporation (JP) 1992-01-29 EP disclosed
US-3989710-A POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 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-20080242544-A1 Phytoactive Composition PNMT, ACHE, TACR1 TSHR 4646/4885HTR2A 258/4885HTR2C 173/4885

“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.