SCHEMBL17060419

SCHEMBL17060419

CCCc1ccc2ccc3cccnc3c2c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.44
TSHR P16473 2/20 0.44
HSP90AA1 P07900 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GMNN O75496 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
MMP9 P14780 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
MMP8 P22894 1/20 0.44
CCR1 P32246 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
HTT P42858 1/20 0.44
MMP13 P45452 1/20 0.44
CCR5 P51681 1/20 0.44

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
SCHEMBL1714944 0.89 BCHE (0.49) MMP2TSHRHSP90AA1LMNAKDM4E
SCHEMBL1824345 0.88 BCHE (0.48) MMP2TSHRHSP90AA1LMNAKDM4E
SCHEMBL31055818 0.88 BCHE (0.48) MMP2TSHRHSP90AA1LMNAKDM4E
SCHEMBL27519923 0.84 BCHE (0.45) MMP2TSHRHSP90AA1LMNAKDM4E
SCHEMBL17060441 0.81 GABRA1 (0.46) MMP2TSHRHSP90AA1LMNAKDM4E
SCHEMBL10705017 0.79 TRPV1 (0.49) MMP2TSHRHSP90AA1LMNAKDM4E
SCHEMBL8887561 0.79 KDM4E (0.44) MMP2TSHRHSP90AA1LMNAKDM4E
SCHEMBL11759262 0.78 TYR (0.49) MMP2TSHRHSP90AA1LMNAKDM4E
SCHEMBL11757253 0.78 TYR (0.49) MMP2TSHRHSP90AA1LMNAKDM4E
SCHEMBL8937738 0.78 TYR (0.49) MMP2TSHRHSP90AA1LMNAKDM4E

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-2915576-B1 EXTRACTING AGENT FOR SEPARATING LITHIUM ISOTOPES AND USE THEREOF SHANGHAI INST ORGANIC CHEMISTRY CAS (CN) 2019-07-03 EP disclosed
US-9926618-B2 Extracting agent for separating lithium isotopes and use thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-03-27 US disclosed
US-20150299822-A1 EXTRACTING AGENT FOR SEPARATING LITHIUM ISOTOPES AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-10-22 US disclosed
EP-2915576-A1 EXTRACTING AGENT FOR SEPARATING LITHIUM ISOTOPES AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2015-09-09 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-20150299822-A1 EXTRACTING AGENT FOR SEPARATING LITHIUM ISOTOPES AND USE THEREOF TCF7L2, LUC7L2, CDK7 MMP2 2947/4885TSHR 3265/4885HSP90AA1 3666/4885

“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.