SCHEMBL21440862

SCHEMBL21440862

C=C[C@@H](O)[C@H](C)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.58
HTT P42858 3/20 0.45
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA1 P00915 1/20 0.38

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
SCHEMBL22297298 1.00 RCE1 (0.58) RCE1HTTMMP9MMP8ALDH1A1
SCHEMBL19633464 0.85 RCE1 (0.50) RCE1HTTMMP9MMP8ALDH1A1
SCHEMBL21440871 0.84 RCE1 (0.48) RCE1HTTMMP9MMP8ALDH1A1
SCHEMBL30999477 0.82 RCE1 (0.43) RCE1ALDH1A1TSHRLMNAMAPT
SCHEMBL21985790 0.81 RCE1 (0.65) RCE1HTTMMP9MMP8ALDH1A1
SCHEMBL17896252 0.81 RCE1 (0.65) RCE1HTTMMP9MMP8ALDH1A1
SCHEMBL17896251 0.81 RCE1 (0.65) RCE1HTTMMP9MMP8ALDH1A1
SCHEMBL17896233 0.81 RCE1 (0.65) RCE1HTTMMP9MMP8ALDH1A1
SCHEMBL21985390 0.81 RCE1 (0.65) RCE1HTTMMP9MMP8ALDH1A1
SCHEMBL28941317 0.81 RCE1 (0.65) RCE1HTTMMP9MMP8ALDH1A1

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-10433555-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-10-08 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-10433555-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 RCE1 387/4885HTT 3579/4885MMP9 1940/4885

“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.