SCHEMBL18242002

SCHEMBL18242002

[CH2]CCc1ccccc1C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.34
DAO P14920 1/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL18244323 0.95 IDO1 (0.33) IDO1DAOHDAC1HDAC8
SCHEMBL18378247 0.89 HDAC1 (0.35) IDO1DAOHDAC1HDAC8
SCHEMBL18241898 0.89 IDO1 (0.36) IDO1DAOHDAC1HDAC8
SCHEMBL18243667 0.85 IDO1 (0.36) IDO1
SCHEMBL18242282 0.84 HDAC1 (0.34) IDO1DAOHDAC1HDAC8
SCHEMBL18244120 0.81 DAO (0.36) IDO1DAOHDAC1HDAC8
SCHEMBL838892 0.80 IDO1 (0.52) IDO1DAOHDAC1HDAC8
SCHEMBL18242679 0.79 IDO1 (0.35) IDO1
SCHEMBL18378006 0.79
SCHEMBL18243988 0.79 HDAC1 (0.38) IDO1DAOHDAC1HDAC8

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 IDO1 3306/4885DAO 24/4885HDAC1 3660/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 IDO1 3306/4885DAO 24/4885HDAC1 3660/4885

“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.