SCHEMBL12675678

SCHEMBL12675678

Oc1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 1.00
ESR1 P03372 4/20 0.58
ESR2 Q92731 3/20 0.58
DGAT1 O75907 1/20 0.50
KCNH2 Q12809 1/20 0.50
NQO2 P16083 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
MAPK1 P28482 1/20 0.49
MAP2K4 P45985 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
MAPKAPK3 Q16644 1/20 0.49
MAPK6 Q16659 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL678508 1.00 KIF11 (1.00) KIF11ESR1ESR2DGAT1KCNH2
SCHEMBL57109 0.92 KIF11 (0.84) KIF11ESR1ESR2NQO2PTGS1
Hydrochloric Acid SCHEMBL29242575 0.89 KIF11 (0.80) KIF11ESR1ESR2NQO2PTGS1
SCHEMBL11756670 0.89 KIF11 (0.80) KIF11ESR1ESR2NQO2PTGS1
Potassium SCHEMBL30655561 0.89 KIF11 (0.80) KIF11ESR1ESR2NQO2PTGS1
Hydrochloric Acid SCHEMBL18955872 0.89 KIF11 (0.80) KIF11ESR1ESR2NQO2PTGS1
SCHEMBL27509291 0.89 KIF11 (0.80) KIF11ESR1ESR2NQO2PTGS1
SCHEMBL28039722 0.89 KIF11 (0.80) KIF11ESR1ESR2NQO2PTGS1
SCHEMBL197238 0.86 KIF11 (0.78) KIF11ALDH1A1CA1CA2
SCHEMBL13410633 0.86 KIF11 (0.78) KIF11ALDH1A1CA1CA2

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 1777/4885ESR1 1477/4885ESR2 2182/4885

“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.