SCHEMBL6035596

SCHEMBL6035596

ClOP(OCl)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS1 P23219 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 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
SCHEMBL77609 0.95 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL194803 0.85 TSHR (0.57) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL11687302 0.83 TSHR (0.55) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL7934188 0.81 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
Bromide SCHEMBL11675628 0.81 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL17171596 0.80 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL28546168 0.78 TSHR (0.44) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL1117737 0.78 TSHR (0.55) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL9052472 0.77 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL383496 0.77 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230393157-A1 PHOSPHATIDYLALKANOL HOMOLOGUES HAVING LABELLED MOIETIES CHIRON AS (NO) 2023-12-07 US claimed
EP-4214216-A1 PHOSPHATIDYLALKANOL HOMOLOGUES HAVING LABELLED MOIETIES Chiron AS (NO) 2023-07-26 EP claimed
WO-2022058192-A1 PHOSPHATIDYLALKANOL HOMOLOGUES HAVING LABELLED MOIETIES CHIRON AS (NO) 2022-03-24 WO claimed
EP-3971192-A1 PHOSPHATIDYLALKANOL HOMOLOGUES HAVING LABELLED MOIETIES Chiron AS (NO) 2022-03-23 EP claimed
US-20230393157-A1 PHOSPHATIDYLALKANOL HOMOLOGUES HAVING LABELLED MOIETIES CHIRON AS (NO) 2023-12-07 US disclosed
EP-4214216-A1 PHOSPHATIDYLALKANOL HOMOLOGUES HAVING LABELLED MOIETIES Chiron AS (NO) 2023-07-26 EP disclosed
WO-2022058192-A1 PHOSPHATIDYLALKANOL HOMOLOGUES HAVING LABELLED MOIETIES CHIRON AS (NO) 2022-03-24 WO disclosed
EP-3971192-A1 PHOSPHATIDYLALKANOL HOMOLOGUES HAVING LABELLED MOIETIES Chiron AS (NO) 2022-03-23 EP disclosed
CN-101863923-B Novel inhibitors of chymase JANSSEN PHARMACEUTICA NV 2013-04-24 CN disclosed
CN-1495189-B Preparation method of phosphite ester and transition metal complex SALTIGO GMBH 2012-07-11 CN disclosed
CN-101863923-A New inhibitors of chymase JANSSEN PHARMACEUTICA NV 2010-10-20 CN disclosed
CN-1934120-B Novel chymase inhibitors JANSSEN PHARMACEUTICA NV 2010-05-26 CN disclosed
EP-0358985-A1 Method of transhalogenating a halophosphorus compound with fluoride ETHYL CORPORATION (US) 1990-03-21 EP disclosed
US-4910324-A Using a metal or ammonium fluoride ETHYL CORPORATION (US) 1990-03-20 US disclosed
EP-0357048-A2 Process for transhalogenating a halophosphorus compound with hydrogen fluoride ALBEMARLE CORPORATION (US) 1990-03-07 EP disclosed
EP-0353598-A2 Transhalogenation of halophosphorus compounds ETHYL CORPORATION (US) 1990-02-07 EP disclosed
EP-0312790-A2 Process for transhalogenating a halophosphorus compound with fluoride ETHYL CORPORATION (US) 1989-04-26 EP disclosed
US-4242479-A CATALYST OF ALUMINUM TRIHALIDE, ORGANOSILOXANE COMPOUND OR ETHER, MAGNESIUM ALCOHOLATE, TITANIUM-HALOGEN AND ORGANOALUMINUM COMPOUNDS SHOWA YUKA KABUSHIKI KAISHA (JP) 1980-12-30 US disclosed
US-4180636-A MAGNESIUM HALIDE, TITANIUM COMPOUND ELECTRON DONOR COMPOUND, TRIALKYL ALUMINUM CATALYST SHOWA DENKO KABUSHIKI KAISHA (JP) 1979-12-25 US disclosed
US-4000239-A PROCESS FOR SPINNING NAPHTHALATE POLYESTER FIBERS TEIJIN LIMITED (JA) 1976-12-28 US 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-20230393157-A1 PHOSPHATIDYLALKANOL HOMOLOGUES HAVING LABELLED MOIETIES PHOSPHO1, SGMS2, SGMS1 TSHR 4269/4885IDO1 4036/4885AGXT 2732/4885

“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.