SCHEMBL4800396

SCHEMBL4800396

Oc1ccc2ccccc2c1-c1c(P)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.54
POLB P06746 1/20 0.50
HSD17B10 Q99714 3/20 0.48
CYP1A2 P05177 2/20 0.48
USP2 O75604 1/20 0.48
PAK1 Q13153 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NSD2 O96028 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ERN1 O75460 1/20 0.46

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
SCHEMBL29362162 0.89 PTPN22 (0.65) PTPN22POLBHSD17B10CYP1A2USP2
SCHEMBL15400598 0.89 PTPN22 (0.65) PTPN22POLBHSD17B10CYP1A2USP2
SCHEMBL29027 0.89 PTPN22 (0.65) PTPN22POLBHSD17B10CYP1A2USP2
Hydrogen Sulfide SCHEMBL30378374 0.87 PTPN22 (0.62) PTPN22POLBHSD17B10CYP1A2USP2
SCHEMBL16291794 0.87 PTPN22 (0.62) PTPN22POLBHSD17B10CYP1A2USP2
Methane SCHEMBL10406101 0.87 PTPN22 (0.62) PTPN22POLBHSD17B10CYP1A2USP2
SCHEMBL9875431 0.87 PTPN22 (0.62) PTPN22POLBHSD17B10CYP1A2USP2
Water SCHEMBL18660620 0.87 PTPN22 (0.62) PTPN22POLBHSD17B10CYP1A2USP2
Charcoal, Activated SCHEMBL30539223 0.87 PTPN22 (0.62) PTPN22POLBHSD17B10CYP1A2USP2
SCHEMBL5417907 0.87 ALDH1A1 (0.58) PTPN22HSD17B10CYP1A2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351835-B2 Organic molecular cataylst having binaphthol skeleton and processes for producing the same and application thereof MEIJI SEIKA KAISHA LTD. (JP) 2008-04-01 US disclosed
US-20060009646-A1 Novel organic molecular catalyst having binaphthol skeketon and processes for producing the same and application thereof MEIJI SEIKA KAISHA LTD. (JP) 2006-01-12 US disclosed
EP-0614901-B1 Phosphine compound and transition metal-phosphine complex containing the same as ligand MITSUBISHI GAS CHEMICAL CO (JP) 1998-08-12 EP disclosed
US-5530150-A HAVING PHOSPHINE AND PHOSPHITE GROUPS IN SAME MOLECULE; CATALYST SELECTIVITY TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-06-25 US disclosed
EP-0614901-A1 Phosphine compound and transition metal-phosphine complex containing the same as ligand MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-09-14 EP 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-20060009646-A1 Novel organic molecular catalyst having binaphthol skeketon and processes for producing the same and application thereof SQLE, OGDH, CYP17A1 PTPN22 4555/4885POLB 121/4885HSD17B10 1069/4885

“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.