SCHEMBL10000412

SCHEMBL10000412

FC(F)(F)c1ssc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
BACE1 P56817 1/20 0.38
POLB P06746 1/20 0.38
PLK1 P53350 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS2 P35354 2/20 0.36
ENPP1 P22413 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
S1PR1 P21453 1/20 0.35
TDO2 P48775 1/20 0.33

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
SCHEMBL28717468 0.73 HDAC6 (0.38) KIF11ALDH1A1TSHRBACE1POLB
SCHEMBL11133165 0.69 MKNK1 (0.46) KIF11ALDH1A1POLBMAPTL3MBTL1
Biphenyl SCHEMBL28313556 0.68 ALDH1A1 (0.60) KIF11ALDH1A1TSHRCYP1A2MAPT
SCHEMBL17161166 0.67 KIF11 (0.40) KIF11ALDH1A1TSHRBACE1L3MBTL1
SCHEMBL28820647 0.67 PTGS2 (0.57) ALDH1A1CYP1A2CYP2D6MAPTCYP2C19
SCHEMBL6830008 0.66
Biphenyl SCHEMBL27543247 0.64 ALDH1A1 (0.64) KIF11ALDH1A1TSHRBACE1CYP1A2
SCHEMBL1224397 0.64 MAPT (0.56) ALDH1A1CYP1A2CYP2D6MAPTCYP2C19
SCHEMBL2597832 0.63 FABP4 (0.53) KIF11ALDH1A1TSHRPOLBMAPT
Biphenyl SCHEMBL27647615 0.62 ALDH1A1 (0.60) KIF11ALDH1A1TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119037-B2 Square planar transition metal complexes and organic semiconductive materials using them as well as electronic or optoelectric components NOVALED AG (DE) 2012-02-21 US disclosed
US-8119037-B2 Square planar transition metal complexes and organic semiconductive materials using them as well as electronic or optoelectric components NOVALED AG (DE) 2012-02-21 US disclosed
US-20100096600-A1 Square Planar Transition Metal Complexes and Organic Semiconductive Materials Using Them as Well as Electronic or Optoelectric Components NOVALED AG (DE) 2010-04-22 US disclosed
US-20100096600-A1 Square Planar Transition Metal Complexes and Organic Semiconductive Materials Using Them as Well as Electronic or Optoelectric Components NOVALED AG (DE) 2010-04-22 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-20100096600-A1 Square Planar Transition Metal Complexes and Organic Semiconductive Materials Using Them as Well as Electronic or Optoelectric Components ORC3, OSTC, OR10J3 KIF11 1198/4885ALDH1A1 3661/4885TSHR 4296/4885

“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.