SCHEMBL17175257

SCHEMBL17175257

C/C=C/c1ccc2c(c1)N(CCCC(CCCCCCCCCC)CCCCCCCCCCCC)C(=O)/C2=C1/C(=O)Oc2cc3c(cc21)OC(=O)/C3=C1/C(=O)N(CCCC(CCCCCCCCCC)CCCCCCCCCCCC)c2cc(C)ccc21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 10/20 0.32
▸ CES1 P23141 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ ALDH2 P05091 1/20 0.31
▸ ALDH3A1 P30838 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
SCHEMBL17175256 1.00 CDC25A (0.32) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL15713521 0.82 NLRP3 (0.39) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL15713338 0.82 NLRP3 (0.39) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL17162938 0.82 NLRP3 (0.39) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL17162937 0.82 NLRP3 (0.39) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL17175259 0.81 — —
SCHEMBL17175262 0.79 CDC25A (0.43) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL17657388 0.79 MAOA (0.35) —
SCHEMBL18256557 0.75 CES1 (0.33) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL15217966 0.74 KDM4E (0.36) ALDH1A1

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-20150295179-A1 MONOMERIC, OLIGOMERIC AND POLYMERIC SEMICONDUCTORS CONTAINING FUSED RINGS AND THEIR DEVICES LI YUNING (US) 2015-10-15 — — 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-20150295179-A1 MONOMERIC, OLIGOMERIC AND POLYMERIC SEMICONDUCTORS CONTAINING FUSED RINGS AND THEIR DEVICES PICALM, NOD2, CDH1 CDC25A 1401/4885CES1 4864/4885ALDH1A1 4649/4885

“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.

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