SCHEMBL20128343

SCHEMBL20128343

Cc1ccc(C)[n+]([O-])c1S

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.31

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
SCHEMBL14620483 0.74 KDM4E (0.41) KDM4EALDH1A1MAPTTSHR
SCHEMBL20128348 0.73
SCHEMBL11956561 0.70 KDM4E (0.38) KDM4EALDH1A1MAPTTSHR
SCHEMBL11956555 0.70 KDM4E (0.38) KDM4EALDH1A1MAPTTSHR
SCHEMBL2955010 0.65 TSHR (0.37) KDM4EALDH1A1MAPTTSHR
SCHEMBL19182176 0.62 GPR84 (0.41) KDM4EALDH1A1MAPT
SCHEMBL2566717 0.62 KDM4E (0.40) KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL7856022 0.61 TSHR (0.42) KDM4EALDH1A1MAPTTSHR
SCHEMBL9015227 0.61 KDM4E (0.39) KDM4EALDH1A1MAPTTSHR
SCHEMBL2213459 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127597-A1 MOLD RESISTANT FORMABLE CORK THE BOEING COMPANY (US) 2018-05-10 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-20180127597-A1 MOLD RESISTANT FORMABLE CORK HEATR1, GRHPR, CBR3 KDM4E 1842/4885ALDH1A1 884/4885MAPT 1500/4885

“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.