SCHEMBL5430601

SCHEMBL5430601

C=CC(=O)NCC(C)[C](C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
TGM2 P21980 1/20 0.34
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CNR2 P34972 4/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
CNR1 P21554 2/20 0.32
GAA P10253 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
SCHEMBL28554680 0.89 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL2472280 0.83 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL372689 0.80
SCHEMBL18755013 0.80 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL11940953 0.80 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL10350868 0.78
SCHEMBL14901 0.78
SCHEMBL7744606 0.78 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL17267140 0.78
SCHEMBL29770830 0.78 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20

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-20070196320-A1 Bioadhesive compositions and their use in medical electrodes MANTRA INTERNATIONAL, LITD. (HK) 2007-08-23 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-20070196320-A1 Bioadhesive compositions and their use in medical electrodes EPCAM, ASIC1, SELE TSHR 4344/4885ALDH1A1 66/4885MAPK1 1696/4885

“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.