SCHEMBL6676480

SCHEMBL6676480

COc1cccc(P(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.52
CYP3A4 P08684 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
ACHE P22303 1/20 0.48
MAOB P27338 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LTA4H P09960 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2A6 P11509 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ENPP2 Q13822 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL8030637 1.00 CA4 (0.52) CA4CYP3A4TDP1ACHEMAOB
SCHEMBL29635198 0.94 ACHE (0.54) CA4CYP3A4ACHECA1CA2
SCHEMBL197286 0.94 ACHE (0.54) CA4CYP3A4ACHECA1CA2
1,3-Dimethoxybenzene SCHEMBL28127772 0.92 CA4 (0.52) CA4CYP3A4TDP1ACHEMAOB
SCHEMBL5713343 0.91 ACHE (0.52) CA4CYP3A4ACHECA1CA2
Phosphine SCHEMBL6466867 0.91 ACHE (0.52) CA4CYP3A4ACHECA1CA2
Hydrochloric Acid SCHEMBL5427158 0.91 ACHE (0.52) CA4CYP3A4ACHECA1CA2
1,3-Dimethoxybenzene SCHEMBL28127423 0.90 MAOB (0.50) CA4CYP3A4TDP1ACHEMAOB
SCHEMBL16487759 0.86 ACHE (0.69) CA4CYP3A4ACHEMAOBCA1
SCHEMBL20873235 0.86 ACHE (0.47) CA4CYP3A4ACHEMAOBCA1

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
EP-2880041-B1 PROCESS FOR PREPARATION OF ARYL PHOSPHOROUS COMPOUNDS COUNCIL SCIENT IND RES (IN) 2018-10-10 EP claimed
WO-2004048463-A1 POLYMERIC COMPOSITIONS RAPIDLY HEATABLE UNDER ELECTROMAGNETIC IRRADIATION, THEIR USES AND PROCESSING METHODS PARODI FABRIZIO (IT) 2004-06-10 WO claimed
CN-115055207-B Method for preparing aryl phosphine by reducing aryl phosphine oxide 清华大学 2023-07-21 CN disclosed
CN-115055207-A Method for preparing aryl phosphine by reducing aryl phosphine oxide 清华大学 2022-09-16 CN disclosed
US-20210107859-A1 A PROCESS FOR THE SYNTHESIS OF CARBON LABELED ORGANIC COMPOUNDS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2021-04-15 US disclosed
WO-2019193068-A1 A PROCESS FOR THE SYNTHESIS OF CARBON LABELED ORGANIC COMPOUNDS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2019-10-10 WO disclosed
EP-3549927-A1 A PROCESS FOR THE SYNTHESIS OF CARBON LABELED ORGANIC COMPOUNDS Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2019-10-09 EP disclosed
EP-2880041-A1 PROCESS FOR PREPARATION OF ARYL PHOSPHOROUS COMPOUNDS Council of Scientific & Industrial Research (IN) 2015-06-10 EP disclosed
WO-2014024212-A1 PROCESS FOR PREPARATION OF ARYL PHOSPHOROUS COMPOUNDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-02-13 WO disclosed
WO-2004048463-A1 POLYMERIC COMPOSITIONS RAPIDLY HEATABLE UNDER ELECTROMAGNETIC IRRADIATION, THEIR USES AND PROCESSING METHODS PARODI FABRIZIO (IT) 2004-06-10 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 (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-20210107859-A1 A PROCESS FOR THE SYNTHESIS OF CARBON LABELED ORGANIC COMPOUNDS OTC, MCCC2, CPS1 CA4 104/4885CYP3A4 14/4885TDP1 3868/4885

“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.