SCHEMBL18242501

SCHEMBL18242501

C[C](C)c1ccc(C(Cl)(Cl)C(Cl)(Cl)Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
TRPA1 O75762 1/20 0.32
POLB P06746 1/20 0.31
HDAC1 Q13547 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL18242402 0.86 TSHR (0.32) TSHRMAPK1HIF1A
SCHEMBL18242798 0.85 TSHR (0.31) TSHRMAPK1HIF1A
SCHEMBL18243431 0.80 TSHR (0.43) TSHRMAPK1HIF1ATRPA1POLB
SCHEMBL18245503 0.74 PGK1 (0.38) MEN1KMT2A
SCHEMBL1552000 0.72 ESR1 (0.38) TSHRHIF1AMEN1KMT2A
SCHEMBL7965283 0.72 LMNA (0.55) TSHRHIF1APOLBHDAC1MEN1
SCHEMBL18242237 0.70 CES2 (0.58) TSHR
SCHEMBL18378355 0.69 CES2 (0.32)
SCHEMBL18378494 0.68 TSHR (0.31) TSHRMAPK1HIF1AMEN1KMT2A
SCHEMBL18243502 0.67 TSHR (0.33) TSHRMAPK1HIF1A

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 648/4885MAPK1 1089/4885HIF1A 226/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 TSHR 648/4885MAPK1 1089/4885HIF1A 226/4885

“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.