SCHEMBL17022698

SCHEMBL17022698

O=C1OCCC(Cc2ccccc2)O1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.46
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
MAOB P27338 1/20 0.40
CTRB1 P17538 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
FASN P49327 1/20 0.38

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
SCHEMBL2574376 0.82 GRM2 (0.49) GRM2SLC6A2SLC6A4SLC6A3F2
SCHEMBL17022722 0.80 LMNA (0.56) TSHR
SCHEMBL15103577 0.77 FOLH1 (0.40) MAPTTSHR
SCHEMBL29201074 0.76 TDP1 (0.53) GRM2CYP3A4TSHR
SCHEMBL6496581 0.75 GRM2 (0.49) GRM2SLC6A2SLC6A4SLC6A3F2
SCHEMBL14486238 0.75 GRM2 (0.49) GRM2SLC6A2SLC6A4SLC6A3F2
SCHEMBL29118765 0.73 TAAR1 (0.44) GRM2MAOB
SCHEMBL7634585 0.72 GRM2 (0.46) GRM2SLC6A2SLC6A4SLC6A3F2
SCHEMBL2204622 0.72 CTSV (0.44) MAOBMAPTCYP2C19
SCHEMBL7628338 0.72 GRM2 (0.53) GRM2SLC6A2SLC6A4SLC6A3F2

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-2910540-B1 NOVEL RUTHENIUM COMPLEX AND METHOD FOR PREPARING METHANOL AND DIOL SHANGHAI INST ORGANIC CHEMISTRY CAS (CN) 2021-09-15 EP disclosed
US-9434665-B2 Ruthenium complex and method for preparing methanol and diol SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-09-06 US disclosed
US-20160060195-A1 NOVEL RUTHENIUM COMPLEX AND METHOD FOR PREPARING METHANOL AND DIOL SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-03-03 US disclosed
EP-2910540-A1 NOVEL RUTHENIUM COMPLEX AND METHOD FOR PREPARING METHANOL AND DIOL Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2015-08-26 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-20160060195-A1 NOVEL RUTHENIUM COMPLEX AND METHOD FOR PREPARING METHANOL AND DIOL CCNY, DPY30, RUVBL1 GRM2 2628/4885SLC6A2 4660/4885SLC6A4 4422/4885

“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.