SCHEMBL18242549

SCHEMBL18242549

[O]c1cccc(C(Cl)(Cl)C(Cl)(Cl)Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.42
PGK2 P07205 2/20 0.42
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL18242123 0.87 PGK1 (0.39) PGK1PGK2TSHRCYP1A2
SCHEMBL18243920 0.85 PGK1 (0.38) PGK1PGK2TSHR
SCHEMBL7193715 0.81 TSHR (0.48) PGK1PGK2TSHRCYP1A2
SCHEMBL18241944 0.74 PGK1 (0.44) PGK1PGK2TSHRCYP1A2
SCHEMBL18243308 0.73 PGK1 (0.38) PGK1PGK2TSHR
SCHEMBL8175129 0.73 TSHR (0.56) PGK1PGK2TSHR
SCHEMBL18242231 0.72 ACP3 (0.40) PGK1PGK2CYP1A2
SCHEMBL820400 0.71 HDAC8 (0.52)
SCHEMBL66448 0.71 TSHR (0.54) TSHR
SCHEMBL9439074 0.71 SRD5A2 (0.49) TSHRCYP1A2

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 PGK1 2952/4885PGK2 2580/4885TSHR 648/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 PGK1 2952/4885PGK2 2580/4885TSHR 648/4885

“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.