SCHEMBL968532

SCHEMBL968532

COC(=O)CC1=CCC=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.40
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 5/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.35
TSHR P16473 3/20 0.34
GAA P10253 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GFER P55789 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 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
SCHEMBL20392315 0.85 HSP90AB1 (0.33) HSP90AB1CYP4F2CYP4A11ALDH1A1HSD17B10
SCHEMBL23349282 0.83 HSP90AB1 (0.39) HSP90AB1CYP4F2CYP4A11ALDH1A1HSD17B10
SCHEMBL5751054 0.81 HSP90AB1 (0.42) HSP90AB1CYP4F2CYP4A11ALDH1A1HSD17B10
SCHEMBL30292110 0.81 GSK3A (0.40) ALDH1A1HSD17B10KMT2AGAASMN1; SMN2
SCHEMBL1055501 0.81 TSHR (0.41) ALDH1A1HSD17B10MAPTKMT2AHTT
SCHEMBL23470149 0.78 MYC (0.32) ALDH1A1HSD17B10GAAHPGDALOX15
SCHEMBL20730313 0.76 HSP90AB1 (0.33) HSP90AB1CYP4F2CYP4A11
SCHEMBL28652878 0.74 HSP90AB1 (0.38) HSP90AB1CYP4F2CYP4A11ALDH1A1HSD17B10
SCHEMBL19886689 0.73 HSD11B1 (0.30)
SCHEMBL10685821 0.73 HSP90AB1 (0.37) HSP90AB1CYP4F2CYP4A11ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507453-B2 Anti-penicillin resistant pneumococci agent and novel 16-membered macrolide derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2013-08-13 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-8389572-B2 Therapeutic delivery of carbon monoxide HEMOCORM LIMITED (GB) 2013-03-05 US disclosed
US-20120015896-A1 Anti-Penicillin Resistant Pneumococci Agent and Novel 16-Membered Macrolide Derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2012-01-19 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 (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-20120015896-A1 Anti-Penicillin Resistant Pneumococci Agent and Novel 16-Membered Macrolide Derivative PWWP2B, BRWD1, BAZ1A HSP90AB1 1689/4885CYP4F2 4616/4885CYP4A11 3942/4885
US-20110015263-A1 THERAPEUTIC DELIVERY OF CARBON MONOXIDE MB, TFRC, CYC1 HSP90AB1 945/4885CYP4F2 695/4885CYP4A11 1893/4885

“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.