SCHEMBL4459079

SCHEMBL4459079

Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.52
TP53 P04637 3/20 0.46
S100A4 P26447 2/20 0.44
HTR2B P41595 1/20 0.44
PDE4D Q08499 1/20 0.44
PTPN11 Q06124 1/20 0.41
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PPOX P50336 1/20 0.40
MAPT P10636 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL4454517 0.86 AHR (0.56) AHRTP53S100A4ALDH1A1TSHR
SCHEMBL29364307 0.84 TP53 (0.61) AHRTP53S100A4HTR2BPDE4D
SCHEMBL440944 0.84 TP53 (0.61) AHRTP53S100A4HTR2BPDE4D
SCHEMBL23827188 0.84 AHR (0.59) AHRTP53S100A4HTR2BPDE4D
SCHEMBL29901659 0.84 AHR (0.59) AHRTP53S100A4HTR2BPDE4D
SCHEMBL4450231 0.82 P2RX7 (0.44) TP53S100A4HTR2BPDE4DPTPN11
SCHEMBL308791 0.82 AHR (0.62) AHRTSHRCYP3A4TDP1
SCHEMBL30336978 0.80 TP53 (0.57) AHRTP53S100A4HTR2BPDE4D
SCHEMBL4446831 0.80 TP53 (0.57) AHRTP53S100A4HTR2BPDE4D
SCHEMBL4450365 0.79 AHR (0.56) AHRTP53S100A4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220351865-A1 METHODS OF BIOLOGICAL AGE EVALUATION AND SYSTEMS USING SUCH METHODS GERO PTE. LTD. (SG) 2022-11-03 US claimed
EP-3881907-A1 METHOD FOR DECHLORINATION OF ONE OR MORE AROMATIC ORGANOCHLORINE COMPOUND(S) CONTAINED IN AN OIL OR FORMING SAID OIL - ASSOCIATED ELECTRICAL/ELECTRONIC DEVICE AND INSTALLATION Université de Lille (FR) 2021-09-22 EP claimed
CN-110558613-B Aerosol generating device and electronic cigarette 上海新型烟草制品研究院有限公司 2024-12-20 CN disclosed
CN-112504791-B Method for rapidly extracting polychlorinated biphenyl from soil and sediment 中国检验认证集团广东有限公司茂名分公司 2023-09-08 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
EP-3881907-A1 METHOD FOR DECHLORINATION OF ONE OR MORE AROMATIC ORGANOCHLORINE COMPOUND(S) CONTAINED IN AN OIL OR FORMING SAID OIL - ASSOCIATED ELECTRICAL/ELECTRONIC DEVICE AND INSTALLATION Université de Lille (FR) 2021-09-22 EP disclosed
US-20090269857-A1 Instruments for detecting low-molecular weight substance FUJIKURA KASEI CO., LTD. (JP) 2009-10-29 US disclosed
US-20050148097-A1 Instruments for detecting low-molecular weight substance ENBIOTEC LABORATORIES C., LTD. (JP) 2005-07-07 US disclosed
EP-1489420-A1 INSTRUMENTS FOR DETECTING LOW-MOLECULAR WEIGHT SUBSTANCE Enbiotec Laboratories Co., Ltd. (JP) 2004-12-22 EP 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 3353/4885TP53 2372/4885S100A4 4268/4885

“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.