SCHEMBL12669342

SCHEMBL12669342

Oc1ccc(C#Cc2ccc(C#Cc3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.64
APP P05067 3/20 0.52
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
PTGS1 P23219 2/20 0.46
NQO2 P16083 1/20 0.46
PTGS2 P35354 1/20 0.46
P4HB P07237 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
MGLL Q99685 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
LMNA P02545 1/20 0.41
TYR P14679 1/20 0.41

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
SCHEMBL672493 1.00 KIF11 (0.64) KIF11APPESR1ESR2PTGS1
SCHEMBL16747679 0.88 KIF11 (0.56) KIF11APPCES2CES1ORAI1
SCHEMBL14998069 0.88 KIF11 (0.56) KIF11APPCES2CES1ORAI1
SCHEMBL57109 0.85 KIF11 (0.84) KIF11ESR1ESR2PTGS1NQO2
Hydrochloric Acid SCHEMBL29242575 0.83 KIF11 (0.80) KIF11ESR1ESR2PTGS1NQO2
SCHEMBL11756670 0.83 KIF11 (0.80) KIF11ESR1ESR2PTGS1NQO2
SCHEMBL27509291 0.83 KIF11 (0.80) KIF11ESR1ESR2PTGS1NQO2
SCHEMBL28039722 0.83 KIF11 (0.80) KIF11ESR1ESR2PTGS1NQO2
Hydrochloric Acid SCHEMBL18955872 0.83 KIF11 (0.80) KIF11ESR1ESR2PTGS1NQO2
Potassium SCHEMBL30655561 0.83 KIF11 (0.80) KIF11ESR1ESR2PTGS1NQO2

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-7951922-B2 Photoresponsive heterocyclic azo compound, method for producing the same, and optical information recording medium NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2011-05-31 US disclosed
US-20070242322-A1 Photoresponsive Heterocyclic Azo Compound, Method for Producing the Same, and Optical Information Recording Medium NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2007-10-18 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 (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-20070242322-A1 Photoresponsive Heterocyclic Azo Compound, Method for Producing the Same, and Optical Information Recording Medium HCRTR1, HCRTR2, CRY1 KIF11 1777/4885APP 582/4885ESR1 1477/4885

“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.