SCHEMBL18242590

SCHEMBL18242590

[O]CCCCc1cccc(I)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
RAB9A P51151 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MGLL Q99685 1/20 0.38
IGF1R P08069 1/20 0.37
ALOX15 P16050 1/20 0.37
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HTR2A P28223 1/20 0.36

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
SCHEMBL5254409 0.98 IDO1 (0.46) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL16414600 0.94 IDO1 (0.48) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL5241784 0.87 IDO1 (0.54) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL16414471 0.85 IDO1 (0.52) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL2114808 0.82 LPL (0.56) IDO1LPLLIPG
SCHEMBL4809556 0.82 CYP4F2 (0.50) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL23347584 0.80 LPL (0.57) HIF1ALMNALPLLIPGHTR2C
SCHEMBL5254412 0.80 CYP4F2 (0.49) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL10974843 0.80 IDO1 (0.48) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL8658620 0.80 CYP4F2 (0.49) IDO1CYP1A2CYP2D6CYP2C19THPO

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 3306/4885CYP1A2 360/4885CYP2D6 881/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 IDO1 3306/4885CYP1A2 360/4885CYP2D6 881/4885

“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.