SCHEMBL29624835

SCHEMBL29624835

Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 12/20 0.61
MAPK1 P28482 2/20 0.61
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 5/20 0.41
HSD17B10 Q99714 5/20 0.41
TSHR P16473 4/20 0.41
CASP1 P29466 1/20 0.41
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CYP1B1 Q16678 1/20 0.35

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
SCHEMBL4449767 1.00 AHR (0.61) AHRMAPK1CYP3A4ALDH1A1HPGD
SCHEMBL29432665 0.88 AHR (0.61) AHRMAPK1CYP3A4ALDH1A1HPGD
SCHEMBL4458352 0.88 AHR (0.61) AHRMAPK1CYP3A4ALDH1A1HPGD
SCHEMBL4446978 0.83 AHR (0.55) AHRMAPK1CYP3A4ALDH1A1HPGD
SCHEMBL30035407 0.83 AHR (0.55) AHRMAPK1CYP3A4ALDH1A1HPGD
SCHEMBL29455135 0.81 AHR (0.52) AHRMAPK1CYP3A4ALDH1A1HSD17B10
SCHEMBL4450440 0.81 AHR (0.52) AHRMAPK1CYP3A4ALDH1A1HSD17B10
SCHEMBL30035000 0.80 CYP3A4 (0.61) AHRMAPK1CYP3A4ALDH1A1HPGD
SCHEMBL4456805 0.80 CYP3A4 (0.61) AHRMAPK1CYP3A4ALDH1A1HPGD
SCHEMBL2934408 0.79 HSD17B10 (0.52) AHRMAPK1CYP3A4ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116893235-A Method and kit for determining polychlorinated biphenyl and multi-class brominated flame retardant residues in traditional Chinese medicine 江苏省食品药品监督检验研究院(江苏省食品质量安全监控中心) 2023-10-17 CN claimed
US-20220351865-A1 METHODS OF BIOLOGICAL AGE EVALUATION AND SYSTEMS USING SUCH METHODS GERO PTE. LTD. (SG) 2022-11-03 US claimed
CN-114394680-A Application of microbial agent in degradation of various halogenated organic pollutants 河南科技大学 2022-04-26 CN claimed
US-20230330725-A1 VOLATILIZATION AND OXIDATION OF ORGANIC WASTE NATIONAL BANK OF CANADA (CA) 2023-10-19 US disclosed
CN-116893235-A Method and kit for determining polychlorinated biphenyl and multi-class brominated flame retardant residues in traditional Chinese medicine 江苏省食品药品监督检验研究院(江苏省食品质量安全监控中心) 2023-10-17 CN disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
US-20220351865-A1 METHODS OF BIOLOGICAL AGE EVALUATION AND SYSTEMS USING SUCH METHODS GERO PTE. LTD. (SG) 2022-11-03 US disclosed
CN-114634886-A Multifunctional microbial agent capable of degrading various halogenated organic pollutants simultaneously 河南科技大学 2022-06-17 CN disclosed
CN-114394680-A Application of microbial agent in degradation of various halogenated organic pollutants 河南科技大学 2022-04-26 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 (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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 AHR 3353/4885MAPK1 1468/4885CYP3A4 2539/4885

“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.