SCHEMBL3301059

SCHEMBL3301059

O=[C]n1c2ccccc2c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP19A1 P11511 1/20 0.38
FABP4 P15090 2/20 0.38
FABP5 Q01469 2/20 0.38
FABP3 P05413 1/20 0.38
BACE1 P56817 2/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL32665750 0.74 GPR3 (0.46) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL3890065 0.74 GPR3 (0.46) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL29940205 0.74 GPR3 (0.46) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL11483570 0.74 GPR3 (0.46) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL1537773 0.74 GPR3 (0.46) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL7637187 0.70 GPR3 (0.48) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL30271954 0.70 GPR3 (0.48) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL28731365 0.69 SLC6A2 (0.42) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL29364414 0.67 GPR3 (0.58) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL10617464 0.67 GPR3 (0.58) GPR3CYP1A2CYP2C19POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PHOSPHOENIX SARL (FR) 2010-04-22 US claimed
EP-1899358-A2 NOVEL P-CHIRAL FUNCTIONALISED ARYLPHOSPHINES AND DERIVATIVES, THE PREPARATION AND USE THEREOF FOR ASYMMETRICAL CATALYSIS Phosphoenix SARL (FR) 2008-03-19 EP claimed
WO-2006136695-A2 NOVEL P-CHIRAL FUNCTIONALISED ARYLPHOSPHINES AND DERIVATIVES, THE PREPARATION AND USE THEREOF FOR ASYMMETRICAL CATALYSIS PHOSPHOENIX SARL (FR) 2006-12-28 WO claimed
US-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PHOSPHOENIX SARL (FR) 2010-04-22 US disclosed
EP-1899358-A2 NOVEL P-CHIRAL FUNCTIONALISED ARYLPHOSPHINES AND DERIVATIVES, THE PREPARATION AND USE THEREOF FOR ASYMMETRICAL CATALYSIS Phosphoenix SARL (FR) 2008-03-19 EP disclosed
WO-2006136695-A2 NOVEL P-CHIRAL FUNCTIONALISED ARYLPHOSPHINES AND DERIVATIVES, THE PREPARATION AND USE THEREOF FOR ASYMMETRICAL CATALYSIS PHOSPHOENIX SARL (FR) 2006-12-28 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-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PNP, NANP, PHOSPHO1 GPR3 1795/4885CYP1A2 1808/4885CYP2C19 700/4885

“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.