SCHEMBL18242806

SCHEMBL18242806

[O]CCCCc1ccc(C(Cl)(Cl)C(Cl)(Cl)Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN2 P17706 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ PTPN6 P29350 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ KCNH2 Q12809 1/20 0.37
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ FDFT1 P37268 2/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ MAOB P27338 2/20 0.31
▸ THRA P10827 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
SCHEMBL18242918 0.94 PTPN2 (0.42) PTPN2PTPN1PTPN6PTPN11KCNH2
SCHEMBL18241949 0.89 PTPN2 (0.42) PTPN2PTPN1PTPN6PTPN11KCNH2
SCHEMBL18378616 0.87 PTPN2 (0.41) PTPN2PTPN1PTPN6PTPN11KCNH2
SCHEMBL18242500 0.86 PTPN2 (0.36) PTPN2PTPN1PTPN6PTPN11TAAR1
SCHEMBL18378157 0.84 PTPN2 (0.43) PTPN2PTPN1PTPN6PTPN11KCNH2
SCHEMBL18378245 0.83 PTPN2 (0.40) PTPN2PTPN1PTPN6PTPN11KCNH2
SCHEMBL18242260 0.81 PTPN2 (0.39) PTPN2PTPN1PTPN6PTPN11KCNH2
SCHEMBL18242981 0.79 HDAC1 (0.40) HDAC1HDAC8HDAC6TAAR1
SCHEMBL18242979 0.78 PTPN2 (0.38) PTPN2PTPN1PTPN6PTPN11KCNH2
SCHEMBL18378030 0.78 PTPN2 (0.40) PTPN2PTPN1PTPN6PTPN11KCNH2

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 PTPN2 3244/4885PTPN1 3116/4885PTPN6 3525/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 PTPN2 3244/4885PTPN1 3116/4885PTPN6 3525/4885

“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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