SCHEMBL17898477

SCHEMBL17898477

O=C1CC(=O)C(c2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
GAA P10253 1/20 0.57
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.44
CFTR P13569 2/20 0.44
GOPC Q9HD26 2/20 0.44
KDM4E B2RXH2 3/20 0.41
RECQL P46063 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
CTRC Q99895 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
EEF2K O00418 1/20 0.39
CYP19A1 P11511 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
MAOB P27338 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL15657030 0.84 KMT2A (0.52) MAPTGAATSHRKMT2ACFTR
SCHEMBL1751794 0.79 DDB1 (0.50) MAPTGAATSHRKMT2ACFTR
SCHEMBL22480623 0.77 TSHR (0.42) MAPTGAATSHRKDM4ERECQL
SCHEMBL291542 0.76 SIGMAR1 (0.50) MAPTGAAKMT2AEEF2KMEN1
SCHEMBL26162719 0.75 FFAR1 (0.44) MAOBTP53
SCHEMBL877352 0.75 MAPT (0.52) MAPTGAACFTRGOPCMAPK1
SCHEMBL13829430 0.74 CTRC (0.38) MAPTGAAKMT2ARECQLALDH1A1
SCHEMBL562614 0.73 MAPT (1.00) MAPTGAAKMT2ARECQLALDH1A1
SCHEMBL7563424 0.73 MAPT (0.68) MAPTGAATSHRKDM4ERECQL
SCHEMBL21821886 0.72 MAPT (0.50) MAPTGAATSHRKDM4ERECQL

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
US-9977024-B2 Targeted covalent probes and inhibitors of proteins containing redox-sensitive cysteines THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
US-9977024-B2 Targeted covalent probes and inhibitors of proteins containing redox-sensitive cysteines THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
US-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines THE SCRIPPS RESEARCH INSTITUTE 2016-07-07 US disclosed
US-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines THE SCRIPPS RESEARCH INSTITUTE 2016-07-07 US 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-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines PTMS, RSU1, QSOX1 MAPT 4374/4885GAA 4634/4885TSHR 780/4885

“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.