SCHEMBL4392339

SCHEMBL4392339

CC(C)c1ccc(-c2ccc([O])cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.48
TYR P14679 2/20 0.46
PTPN5 P54829 2/20 0.46
FFAR1 O14842 1/20 0.42
NOTUM Q6P988 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTGS2 P35354 1/20 0.40
MGLL Q99685 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL348071 0.92 TYR (0.52) KIF11TYRMGLLMEN1LMNA
Hydrogen Sulfide SCHEMBL27992659 0.89 TYR (0.50) KIF11TYRMGLLMEN1LMNA
SCHEMBL197335 0.86 KIF11 (0.52) KIF11TYRPTPN5FFAR1NOTUM
Hydrogen Peroxide SCHEMBL9176615 0.80 KIF11 (0.54) KIF11TYRPTPN5FFAR1NOTUM
Hydrogen Peroxide SCHEMBL9643171 0.80 KIF11 (0.54) KIF11TYRPTPN5FFAR1NOTUM
SCHEMBL597362 0.78 PTPN5 (0.49) KIF11TYRPTPN5NOTUMRXRA
SCHEMBL27772709 0.76 TYR (0.52) KIF11TYRNOTUMNPC1RAB9A
SCHEMBL104124 0.76 TYR (0.58) TYRNOTUMNPC1RAB9ATP53
SCHEMBL14677847 0.76 ALDH1A1 (0.38) TP53SMN1; SMN2HTTMAPK1
SCHEMBL40528 0.76 PTGS2 (0.58) PTPN5RXRARXRBRXRGRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP 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 (1 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 KIF11 2857/4885TYR 689/4885PTPN5 4350/4885

“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.