SCHEMBL6728055

SCHEMBL6728055

Cc1cc(Cl)c(Cl)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 3/20 0.46
SORT1 Q99523 4/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.45
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44

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
SCHEMBL29923705 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL8464010 0.98 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL13171240 0.88 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL18432608 0.88 KDM4E (0.44) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL27496311 0.88 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL28621044 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1MAPTPKM
Hydrochloric Acid SCHEMBL7705494 0.86 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL18703608 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL8340285 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL10915062 0.83 POLB (0.47) ALDH1A1KDM4EMEN1MAPTPKM

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5886218-A REACTING 3,4-DICHLOROTOLUENE WITH ACETYL CHLORIDE OR CHLOROACETYL CHLORIDE USING A FRIEDEL-CRAFTS CATALYST; OXIDIZING THE ACETYLATED INTERMEDIATE IN THE PRESENCE OF AN ALKALI TO PRODUCE THE SALT SUBSEQUENTLY HYDROLYZED HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-23 US claimed
EP-0805140-A1 Process for producing 4,5-dichloro-2-methylbenzoic acid HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-05 EP claimed
JP-10053558-A None JP disclosed
CN-115028596-B Method for preparing topramezone intermediate 帕潘纳(北京)科技有限公司 2024-06-07 CN disclosed
CN-115028596-A Process for preparing topramezone intermediates 帕潘纳(北京)科技有限公司 2022-09-09 CN disclosed
CN-109970551-B Preparation method of o-methyl aryl formic acid derivative 华侨大学 2021-07-30 CN disclosed
US-9758474-B2 Immunomodulator and anti-inflammatory compounds INCOZEN THERAPEUTICS PVT. LTD. (IN) 2017-09-12 US disclosed
US-9758474-B2 Immunomodulator and anti-inflammatory compounds INCOZEN THERAPEUTICS PVT. LTD. (IN) 2017-09-12 US disclosed
US-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS INCOZEN THERAPEUTICS PVT. LTD. (CH) 2014-08-07 US disclosed
US-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS INCOZEN THERAPEUTICS PVT. LTD. (CH) 2014-08-07 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-5886218-A REACTING 3,4-DICHLOROTOLUENE WITH ACETYL CHLORIDE OR CHLOROACETYL CHLORIDE USING A FRIEDEL-CRAFTS CATALYST; OXIDIZING THE ACETYLATED INTERMEDIATE IN THE PRESENCE OF AN ALKALI TO PRODUCE THE SALT SUBSEQUENTLY HYDROLYZED HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
US-5886218-A REACTING 3,4-DICHLOROTOLUENE WITH ACETYL CHLORIDE OR CHLOROACETYL CHLORIDE USING A FRIEDEL-CRAFTS CATALYST; OXIDIZING THE ACETYLATED INTERMEDIATE IN THE PRESENCE OF AN ALKALI TO PRODUCE THE SALT SUBSEQUENTLY HYDROLYZED HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
US-5767289-A HERBICIDE INTERMEDIATES IDEMITSU KOSAN COMPANY, LIMITED (JP) 1998-06-16 US disclosed
JP-H1053558-A PRODUCTION OF 4,5-DICHLORO-2-METHYLBENZOIC ACID HOECHST AG 1998-02-24 JP disclosed
EP-0810226-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-12-03 EP disclosed
EP-0805140-A1 Process for producing 4,5-dichloro-2-methylbenzoic acid HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-05 EP disclosed
EP-0805140-A1 Process for producing 4,5-dichloro-2-methylbenzoic acid HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-05 EP disclosed
EP-0805140-A1 Process for producing 4,5-dichloro-2-methylbenzoic acid HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-05 EP disclosed
US-5607898-A HERBICIDES IDEMITSU KOSAN COMPANY, LTD. (JP) 1997-03-04 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 (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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 ALDH1A1 565/4885KDM4E 1219/4885MEN1 1020/4885
US-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR ALDH1A1 109/4885KDM4E 1861/4885MEN1 4837/4885

“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.