SCHEMBL4596500

SCHEMBL4596500

Clc1cc(Cl)cc(-c2ccc(Br)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
CHKA P35790 1/20 0.44
MCL1 Q07820 2/20 0.43
AHR P35869 1/20 0.42
TSHR P16473 1/20 0.42
CYP2A6 P11509 1/20 0.42
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PGR P06401 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
MAP4K4 O95819 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36

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
SCHEMBL19889630 0.90 ALDH1A1 (0.44) RXRARXRBALDH1A1MAPK1CHKA
SCHEMBL1958364 0.86 RXRA (0.61) RXRARXRBCHKAAHRTSHR
SCHEMBL4246853 0.80 AHR (0.62) RXRARXRBALDH1A1CHKAAHR
SCHEMBL25815230 0.80 ALDH1A1 (0.55) ALDH1A1MAPK1MCL1AHRCYP2A6
SCHEMBL3869855 0.80 ALDH1A1 (0.55) ALDH1A1MAPK1MCL1AHRCYP2A6
SCHEMBL26027958 0.80 AHR (0.50) RXRARXRBALDH1A1MAPK1CHKA
SCHEMBL17600463 0.80 ALDH1A1 (0.61) ALDH1A1MAPK1MCL1CYP2A6CA12
SCHEMBL920518 0.80 ALDH1A1 (0.61) ALDH1A1MAPK1MCL1CYP2A6CA12
SCHEMBL29674512 0.80 CYP11B1 (0.49) RXRARXRBALDH1A1CHKAMCL1
SCHEMBL20501990 0.80 CYP11B1 (0.49) RXRARXRBALDH1A1CHKAMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11871658-B2 Compound for organic electric element, organic electric element using same, and electronic device thereof DUK SAN NEOLUX CO., LTD. 2024-01-09 US disclosed
WO-2023013697-A1 MATERIAL FOR METAL PATTERNING, FLUORO COMPOUND, THIN FILM FOR METAL PATTERNING, ORGANIC ELECTROLUMINESCENCE DEVICE, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN 東ソー株式会社 2023-02-09 WO disclosed
US-20200136052-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2020-04-30 US disclosed
WO-2018169261-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-09-20 WO disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO 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-11871658-B2 Compound for organic electric element, organic electric element using same, and electronic device thereof OR10J3, ORAI2, VDAC2 RXRA 1289/4885RXRB 2291/4885ALDH1A1 2047/4885
US-20200136052-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF OR10J3, ORAI2, VDAC2 RXRA 1289/4885RXRB 2291/4885ALDH1A1 2047/4885

“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.