SCHEMBL25672129

SCHEMBL25672129

Bc1ccc2c(c1)C(CC)(CC)c1cc(C=O)ccc1-2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
ALDH1A3 P47895 5/20 0.33
ALDH3A1 P30838 4/20 0.33
TSHR P16473 1/20 0.32
FDPS P14324 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PTGS2 P35354 1/20 0.31
RAB9A P51151 1/20 0.31
PTGER4 P35408 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
SCHEMBL12982458 0.83 PDK2 (0.38) ALDH1A1ALDH1A3ALDH3A1TSHR
SCHEMBL13782166 0.82 ALDH1A1 (0.34) ALDH1A1ALDH1A3TSHRFDPSKDM4E
SCHEMBL7864657 0.81 ALDH1A3 (0.33) ALDH1A1ALDH1A3ALDH3A1TSHRFDPS
SCHEMBL1085980 0.81 ALDH1A1 (0.41) ALDH1A1ALDH1A3ALDH3A1TSHRFDPS
SCHEMBL13180407 0.77 ALDH1A1 (0.33) ALDH1A1TSHRFDPSPTGER4
SCHEMBL13453848 0.77 PDK2 (0.36)
SCHEMBL2781069 0.76 ALDH1A1 (0.38) ALDH1A1ALDH1A3ALDH3A1KDM4E
SCHEMBL13534620 0.76 CHEK1 (0.37) ALDH1A1KDM4ERAB9A
SCHEMBL16359287 0.75 PDK2 (0.42) ALDH1A1TSHRPTGS2
SCHEMBL13719008 0.75 ALDH1A1 (0.53) ALDH1A1ALDH1A3KDM4ERAB9A

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-20230203066-A1 ORGANOGOLD NONLINEAR OPTICAL CHROMOPHORES UNIV CASE WESTERN RESERVE (US) 2023-06-29 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-20230203066-A1 ORGANOGOLD NONLINEAR OPTICAL CHROMOPHORES NR2E3, OR10J3, NMBR ALDH1A1 1513/4885ALDH1A3 122/4885ALDH3A1 798/4885

“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.