SCHEMBL4458296

SCHEMBL4458296

Clc1cc(-c2ccccc2)cc(Cl)c1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 6/20 0.64
CYP1B1 Q16678 1/20 0.56
ESR2 Q92731 1/20 0.54
ALDH1A1 P00352 3/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
CYP1A2 P05177 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSP90AA1 P07900 1/20 0.47
CYP2A6 P11509 1/20 0.46
PDK2 Q15119 1/20 0.43
FTO Q9C0B1 1/20 0.43
RHEB Q15382 1/20 0.43
HPGD P15428 2/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL26428597 0.84 AHR (0.46) AHRCYP1B1ESR2ALDH1A1AKR1C2
SCHEMBL29419465 0.84 AHR (0.46) AHRCYP1B1ESR2ALDH1A1AKR1C2
SCHEMBL25489732 0.84 CRHBP (0.54) AHRCYP1B1ESR2ALDH1A1AKR1C2
SCHEMBL22939763 0.83 AHR (0.64) AHRCYP1B1ESR2ALDH1A1AKR1C2
SCHEMBL2906064 0.82 AHR (0.67) AHRCYP1B1ALDH1A1HSP90AA1HPGD
SCHEMBL16939188 0.81 ESR2 (0.52) AHRESR2ALDH1A1AKR1C2AKR1C1
SCHEMBL16934967 0.81 ESR2 (0.52) AHRCYP1B1ESR2ALDH1A1AKR1C2
Biphenyl SCHEMBL10490134 0.80 CYP2A6 (0.55) AHRESR2ALDH1A1CYP1A2MEN1
SCHEMBL3827276 0.79 ESR2 (0.50) AHRESR2ALDH1A1AKR1C2AKR1C1
SCHEMBL22141287 0.79 ESR2 (0.50) AHRESR2ALDH1A1AKR1C2AKR1C1

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
US-20220131086-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-04-28 US disclosed
US-20210126195-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-04-29 US disclosed
US-8653119-B2 Methods for treating transthyretin amyloid diseases THE SCRIPPS RESEARCH INSTITUTE (US) 2014-02-18 US disclosed
US-8168663-B2 Pharmaceutically acceptable salt of 6-carboxy-2-(3,5 dichlorophenyl)-benzoxazole, and a pharmaceutical composition comprising the salt thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2012-05-01 US disclosed
US-20100120919-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-05-13 US 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 (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-20210126195-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, TMEM109 AHR 2067/4885CYP1B1 838/4885ESR2 170/4885
US-20100120919-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES TTR, TTPA, PRNP AHR 4301/4885CYP1B1 4049/4885ESR2 4175/4885

“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.