SCHEMBL18243003

SCHEMBL18243003

CCC[CH]c1ccc(I)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.39
CAPN1 P07384 1/20 0.32
CAPN2 P17655 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALDH3A1 P30838 1/20 0.31
ALDH1A3 P47895 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
SCHEMBL5358981 0.87 ALDH1A1 (0.37) ALDH1A1ALDH3A1ALDH1A3
SCHEMBL18243462 0.82 APP (0.43) APPCAPN1CAPN2ALDH1A1ALDH3A1
SCHEMBL1611178 0.78 CYP2A6 (0.50)
SCHEMBL7222635 0.76 APP (0.41) APPALDH1A1
SCHEMBL653095 0.76 NFE2L2 (0.43) APP
SCHEMBL293565 0.76 HSD17B10 (0.48) ALDH3A1ALDH1A3
SCHEMBL18378139 0.76 LMNA (0.39) ALDH1A1ALDH3A1ALDH1A3
SCHEMBL1610150 0.76 ALDH1A1 (0.44) ALDH1A1
SCHEMBL5641505 0.76 ALDH1A1 (0.50) APPALDH1A1
SCHEMBL28797512 0.76 APP (0.34) APPCAPN1CAPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 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 (2 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 APP 4064/4885CAPN1 994/4885CAPN2 847/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 APP 4064/4885CAPN1 994/4885CAPN2 847/4885

“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.