SCHEMBL5453624

SCHEMBL5453624

CCC(O[C]=O)C(=O)OCCC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 2/20 0.31
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9602250 0.87 TSHR (0.36) TSHRKMT2AMEN1CA12CA14
SCHEMBL7164146 0.78 TSHR (0.36) TSHRKMT2AMEN1
SCHEMBL2677950 0.76 ALDH1A1 (0.39) TSHRKMT2AMEN1LMNACA12
SCHEMBL3761727 0.76 NAAA (0.44) TSHRLMNACA12ALDH1A1
SCHEMBL7042625 0.75 NAAA (0.47) TSHRLMNACA12ALDH1A1
SCHEMBL12532804 0.73 TSHR (0.46) TSHRKMT2AMEN1LMNACA12
SCHEMBL12390082 0.70 TSHR (0.52) TSHRKMT2AMEN1LMNACA12
SCHEMBL3453928 0.69 TSHR (0.57) TSHRKMT2AMEN1LMNACA12
SCHEMBL5872657 0.69 TSHR (0.34) TSHRLMNA
SCHEMBL1070843 0.68 HDAC1 (0.34) TSHRLMNAALDH1A1

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-20070043010-A1 Quinazoline derivatives ASTRAZENECA UK LIMITED (GB) 2007-02-22 US disclosed
US-7105032-B2 Agents used for dyeing keratinous fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-09-12 US disclosed
US-20050144740-A1 Agents used for dyeing keratinous fibers HENKEL AG & CO. KGAA (DE) 2005-07-07 US disclosed
US-5002942-A Calcium channel blockers for cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1991-03-26 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 (2 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-20070043010-A1 Quinazoline derivatives ERBB2, ABL1, EGFR TSHR 1244/4885KMT2A 2314/4885MEN1 1655/4885
US-20050144740-A1 Agents used for dyeing keratinous fibers KRT18, TUBB3, DSG1 TSHR 4859/4885KMT2A 1260/4885MEN1 4420/4885

“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.