SCHEMBL18378014

SCHEMBL18378014

[O]c1c(C(Cl)(Cl)Cl)cccc1C(Cl)(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CA2 P00918 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
KCNN4 O15554 1/20 0.30
PGK1 P00558 1/20 0.30
PGK2 P07205 1/20 0.30

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
SCHEMBL18243461 0.78 PGK1 (0.32) TSHRCYP3A4PGK1PGK2
SCHEMBL7190827 0.74 TSHR (0.39) TSHRCYP3A4TDP1MAPK1CYP1A2
SCHEMBL18243599 0.74 PGK1 (0.30) PGK1PGK2
SCHEMBL30318973 0.74 TSHR (0.50) TSHRCYP3A4TDP1MAPK1ALDH1A1
SCHEMBL545083 0.74 TSHR (0.50) TSHRCYP3A4TDP1MAPK1ALDH1A1
SCHEMBL11553538 0.73 CYP1A2 (0.45) TSHRCYP3A4TDP1MAPK1ALDH1A1
SCHEMBL11593570 0.73 TSHR (0.36) TSHRCYP3A4TDP1MAPK1CA2
SCHEMBL11549028 0.73 TSHR (0.40) TSHRCYP3A4TDP1MAPK1MEN1
SCHEMBL18244110 0.72
SCHEMBL18378574 0.72 CYP1A2 (0.35) TSHRCYP3A4CYP1A2CYP2A6

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 TSHR 648/4885CYP3A4 1029/4885TDP1 3467/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 TSHR 648/4885CYP3A4 1029/4885TDP1 3467/4885

“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.