SCHEMBL5155985

SCHEMBL5155985

Oc1c(-c2ccc3ccccc3c2O)ccc2ccccc12.[Al]

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.62
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP2A6 P11509 1/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LDHA P00338 1/20 0.52
CYP1A2 P05177 2/20 0.48
HPRT1 P00492 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
POLB P06746 1/20 0.46
USP2 O75604 1/20 0.45
PAK1 Q13153 1/20 0.45

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
SCHEMBL29401627 0.97 PTPN22 (0.65) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL374807 0.97 PTPN22 (0.65) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL1840828 0.95 PTPN22 (0.62) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL9060860 0.95 PTPN22 (0.62) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL6634384 0.91 PTPN22 (0.58) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL8735056 0.91 PTPN22 (0.58) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL9510182 0.89 PTPN22 (0.56) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL7829341 0.89 PTPN22 (0.56) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
Sulfur Dioxide SCHEMBL20526198 0.89 PTPN22 (0.56) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL4443508 0.89 PTPN22 (0.56) PTPN22HSD17B10ALDH1A1CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1134226-B1 Process for producing an optically active ruthenium-phosphine complex and process for producing an optically active alcohol by using the complex TAKASAGO PERFUMERY CO LTD (JP) 2007-01-03 EP disclosed
US-6596887-B2 Reacting a ruthenium-phosphine complex with a specific optically active chiral diamine to deactivate one of the enantiomers and with another diamine to activate the other enantiomers TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-07-22 US disclosed
US-20010039354-A1 Process for producing an optically active ruthenium-phosphine complex and process for producing an optically active alcohol by using the complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-11-08 US disclosed
EP-1134226-A2 Process for producing an optically active ruthenium-phosphine complex and process for producing an optically active alcohol by using the complex Takasago International Corporation (JP) 2001-09-19 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-20010039354-A1 Process for producing an optically active ruthenium-phosphine complex and process for producing an optically active alcohol by using the complex DRD4, PNMT, DRD1 PTPN22 3859/4885HSD17B10 4786/4885ALDH1A1 1040/4885

“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.