SCHEMBL1055501

SCHEMBL1055501

COC(=O)CCC1=CCC=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NOTUM Q6P988 1/20 0.34
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL968532 0.81 HSP90AB1 (0.40) TSHRKMT2AALDH1A1HSD17B10LMNA
SCHEMBL20730062 0.80 TSHR (0.38) TSHRKMT2AALDH1A1HSD17B10LMNA
SCHEMBL20570288 0.77 KEAP1 (0.39) ALDH1A1HSD17B10LMNAMAPTHTT
SCHEMBL23470149 0.75 MYC (0.32) ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL13084165 0.73 TSHR (0.36) TSHRKMT2AALDH1A1HSD17B10LMNA
SCHEMBL28656723 0.72 TSHR (0.35) TSHRKMT2AALDH1A1HSD17B10LMNA
SCHEMBL20392315 0.72 HSP90AB1 (0.33) KMT2AALDH1A1HSD17B10LMNAMAPT
SCHEMBL20749070 0.71 L3MBTL1 (0.40) TSHRKMT2AALDH1A1HSD17B10LMNA
SCHEMBL24454861 0.68 DAO (0.33)
SCHEMBL14725572 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389572-B2 Therapeutic delivery of carbon monoxide HEMOCORM LIMITED (GB) 2013-03-05 US disclosed
US-8389572-B2 Therapeutic delivery of carbon monoxide HEMOCORM LIMITED (GB) 2013-03-05 US disclosed
US-8389572-B2 Therapeutic delivery of carbon monoxide HEMOCORM LIMITED (GB) 2013-03-05 US disclosed
US-20110015263-A1 THERAPEUTIC DELIVERY OF CARBON MONOXIDE HEMOCORM LIMITED 2011-01-20 US disclosed
US-20110015263-A1 THERAPEUTIC DELIVERY OF CARBON MONOXIDE HEMOCORM LIMITED 2011-01-20 US disclosed
US-20110015263-A1 THERAPEUTIC DELIVERY OF CARBON MONOXIDE HEMOCORM LIMITED 2011-01-20 US disclosed
WO-2007085806-A2 THERAPEUTIC DELIVERY OF CARBON MONOXIDE HEMOCORM LIMITED (GB) 2007-08-02 WO 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-20110015263-A1 THERAPEUTIC DELIVERY OF CARBON MONOXIDE MB, TFRC, CYC1 TSHR 1712/4885KMT2A 3895/4885ALDH1A1 870/4885

“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.