SCHEMBL8345797

SCHEMBL8345797

CCCCOP(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.44
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FAAH O00519 6/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MLNR O43193 1/20 0.37
NR1I2 O75469 1/20 0.37
ESR1 P03372 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37

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
SCHEMBL11253402 0.94 LTA4H (0.44) LTA4HTSHRCYP3A4MAPK1ALDH1A1
SCHEMBL21218990 0.93 TSHR (0.45) LTA4HTSHRCYP3A4MAPK1ALDH1A1
SCHEMBL11318272 0.93 TSHR (0.45) LTA4HTSHRCYP3A4MAPK1ALDH1A1
SCHEMBL27533862 0.93 TSHR (0.45) LTA4HTSHRCYP3A4MAPK1ALDH1A1
SCHEMBL11370317 0.93 TSHR (0.45) LTA4HTSHRCYP3A4MAPK1ALDH1A1
SCHEMBL6669566 0.83 TDP1 (0.39) TSHRTDP1CYP3A4ALDH1A1ESR1
SCHEMBL29130859 0.81 TDP1 (0.43) LTA4HTSHRTDP1L3MBTL1CYP1A2
SCHEMBL2938616 0.80 LTA4H (0.47) LTA4HTSHRTDP1L3MBTL1CYP1A2
SCHEMBL1726701 0.80 LTA4H (0.47) LTA4HTSHRTDP1L3MBTL1CYP1A2
SCHEMBL911477 0.79 GAA (0.36) LTA4HTSHRTDP1L3MBTL1CYP3A4

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-5990337-A Process for the preparation of 2-cyanoethylphosphinic esters TICONA GMBH (DE) 1999-11-23 US claimed
US-10968241-B2 Process for producing phosphinates BASF SE (DE) 2021-04-06 US disclosed
CN-108137629-B Process for preparing phosphonites 拜耳作物科学股份公司 2020-09-01 CN disclosed
US-20200079804-A1 Process for producing phosphinates BASF SE (DE) 2020-03-12 US disclosed
EP-3356376-B1 METHOD FOR THE PREPARATION OF PHOSPHINATES BASF SE (DE) 2019-08-07 EP disclosed
US-20180265529-A1 PROCESS FOR PRODUCING PHOSPHINATES BASF SE (DE) 2018-09-20 US disclosed
CN-108137629-A Process for preparing phosphonites 拜耳作物科学股份公司 2018-06-08 CN disclosed
US-5990337-A Process for the preparation of 2-cyanoethylphosphinic esters TICONA GMBH (DE) 1999-11-23 US disclosed
US-5861107-A ESTER INTERCHANGE OF 1,3-PROPANEDIOL COMPOUNDS WITH CARBONIC ACID ESTERS; DISTILLATIVE DEPOLYMERIZATION; CATALYSIS WITH TITANIUM OR ZIRCONIUM COMPOUND; PHOSPHORUS OR SULFUR COMPOUND STABILIZER BAYER AKTIENGESELLSCHAFT (DE) 1999-01-19 US disclosed
US-4613674-A FIREPROOFING TSOLIS ALEXANDROS K 1986-09-23 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 (3 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-20200079804-A1 Process for producing phosphinates PTMS, PHOSPHO1, PPA1 LTA4H 1509/4885TSHR 2690/4885TDP1 3099/4885
US-10968241-B2 Process for producing phosphinates PTMS, PHOSPHO1, PPA1 LTA4H 1509/4885TSHR 2690/4885TDP1 3099/4885
US-20180265529-A1 PROCESS FOR PRODUCING PHOSPHINATES PTMS, PHOSPHO1, PPA1 LTA4H 1509/4885TSHR 2690/4885TDP1 3099/4885

“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.