SCHEMBL675039

SCHEMBL675039

CCCCCCCCc1cc(I)c(CCCCCCCC)cc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.52
CYP3A4 P08684 3/20 0.52
TYR P14679 3/20 0.52
TP53 P04637 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LIPG Q9Y5X9 1/20 0.44
PTGS2 P35354 7/20 0.43
ESR1 P03372 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
TACR2 P21452 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43

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
SCHEMBL560620 1.00 ALOX5 (0.52) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL23880370 0.98 ALOX5 (0.48) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL12925073 0.91 ALOX5 (0.47) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL725139 0.91 ALOX5 (0.47) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL17767410 0.88 ALOX5 (0.43) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL21286971 0.86 TYR (0.45) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL11983254 0.84 THRA (0.42) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL3657714 0.81 ALOX5 (0.44) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL5684607 0.81 TYR (0.53) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL28209900 0.80 ESR1 (0.53) ALOX5CYP3A4TYRTP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112250629-B Surfactant type corrosion inhibitor and preparation method thereof 山东滨州昱诚化工科技有限公司 2022-03-25 CN claimed
CN-112250629-A Surfactant type corrosion inhibitor and preparation method thereof 张玉花 2021-01-22 CN claimed
US-12485407-B2 Catalyst for hydrogenation reaction and method for producing same LG CHEM, LTD (KR) 2025-12-02 US disclosed
EP-3903934-B1 USE OF A CATALYST IN THE HYDROGENATION OF ALKYNE TO ALKENE LG CHEMICAL LTD (KR) 2025-02-12 EP disclosed
US-20240299919-A1 CATALYST FOR HYDROGENATION REACTION AND METHOD FOR PRODUCING SAME KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2024-09-12 US disclosed
US-20220134323-A1 CATALYST FOR HYDROGENATION REACTION AND METHOD FOR PRODUCING SAME LG CHEM, LTD. (KR) 2022-05-05 US disclosed
CN-112250629-B Surfactant type corrosion inhibitor and preparation method thereof 山东滨州昱诚化工科技有限公司 2022-03-25 CN disclosed
EP-3903934-A1 CATALYST FOR HYDROGENATION REACTION AND METHOD FOR PRODUCING SAME LG Chem, Ltd. (KR) 2021-11-03 EP disclosed
CN-113518663-A Catalyst for hydrogenation reaction and method for producing the same 株式会社LG化学 2021-10-19 CN disclosed
WO-2021066298-A1 CATALYST FOR HYDROGENATION REACTION AND METHOD FOR PRODUCING SAME 주식회사 엘지화학 2021-04-08 WO disclosed
CN-112250629-A Surfactant type corrosion inhibitor and preparation method thereof 张玉花 2021-01-22 CN disclosed
US-9156938-B2 Compositions, methods, and systems comprising fluorous-soluble polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-10-13 US disclosed
US-9156938-B2 Compositions, methods, and systems comprising fluorous-soluble polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-10-13 US disclosed
US-8562867-B2 Organic species that facilitate charge transfer to or from nanostructures NANOSYS, INC. (US) 2013-10-22 US disclosed
US-20120177578-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING FLUOROUS-SOLUBLE POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-07-12 US disclosed
US-20120177578-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING FLUOROUS-SOLUBLE POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-07-12 US disclosed
WO-2012024592-A2 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING FLUOROUS-SOLUBLE POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-02-23 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 (4 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-20220134323-A1 CATALYST FOR HYDROGENATION REACTION AND METHOD FOR PRODUCING SAME GRHPR, HAO2, RAD51 ALOX5 2315/4885CYP3A4 597/4885TYR 2150/4885
US-12485407-B2 Catalyst for hydrogenation reaction and method for producing same GRHPR, HAO2, RAD51 ALOX5 2315/4885CYP3A4 597/4885TYR 2150/4885
US-20240299919-A1 CATALYST FOR HYDROGENATION REACTION AND METHOD FOR PRODUCING SAME GRHPR, HAO2, RAD51 ALOX5 2315/4885CYP3A4 597/4885TYR 2150/4885
US-20120177578-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING FLUOROUS-SOLUBLE POLYMERS NAF1, PFAS, MALT1 ALOX5 907/4885CYP3A4 2315/4885TYR 467/4885

“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.