SCHEMBL6282199

SCHEMBL6282199

CC(=O)CCC(=O)CCc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.50
CDYL Q9Y232 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GPR84 Q9NQS5 1/20 0.47
IAPP P10997 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NQO2 P16083 1/20 0.45
P2RX7 Q99572 1/20 0.44
ACP3 P15309 1/20 0.44
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MCL1 Q07820 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43

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
SCHEMBL30258002 0.90 IAPP (0.56) MTNR1ACDYLTDP1GPR84IAPP
SCHEMBL4070601 0.90 IAPP (0.56) MTNR1ACDYLTDP1GPR84IAPP
SCHEMBL7340131 0.90 TDP1 (0.58) MTNR1ACDYLTDP1GPR84IAPP
SCHEMBL8400463 0.83 IAPP (0.58) MTNR1ACDYLTDP1GPR84IAPP
SCHEMBL9404001 0.83 MTNR1A (0.58) MTNR1ACDYLTDP1GPR84KDM4E
SCHEMBL6708222 0.82 MTNR1A (0.50) MTNR1ACDYLTDP1GPR84IAPP
SCHEMBL13227199 0.81 CDYL (0.53) MTNR1ACDYLTDP1GPR84IAPP
SCHEMBL27891939 0.80 TDP1 (0.51) MTNR1ACDYLTDP1GPR84KDM4E
SCHEMBL14608998 0.79 MTNR1A (0.49) MTNR1ACDYLTDP1GPR84IAPP
SCHEMBL29137509 0.79 ACP3 (0.52) MTNR1ACDYLTDP1GPR84KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM MTNR1A 673/4885CDYL 174/4885TDP1 1772/4885

“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.