SCHEMBL17517232

SCHEMBL17517232

CCCCCCCCN(c1ccc(-c2ccc(C)nc2)cc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.38
CNR2 P34972 2/20 0.36
MAPT P10636 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
EPHB4 P54760 1/20 0.32
TEK Q02763 1/20 0.32
IDO1 P14902 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HPGDS O60760 1/20 0.32
KCNH2 Q12809 1/20 0.32
CRHR1 P34998 1/20 0.32
GCGR P47871 1/20 0.32
CNR1 P21554 1/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL17517231 0.83 DYRK1A (0.39) KIF11CNR2MAPTCYP2D6
SCHEMBL714677 0.82 KCNH2 (0.43) MAPTHDAC3HDAC1HDAC2KCNH2
SCHEMBL5295527 0.82 KCNH2 (0.43) MAPTHDAC3HDAC1HDAC2KCNH2
SCHEMBL17517230 0.81 KIF11 (0.49) KIF11EPHB4TEKHPGDSALDH1A1
SCHEMBL1622124 0.78 KIF11 (0.58) KIF11EPHB4TEKHPGDSALDH1A1
SCHEMBL10180717 0.77 RAB9A (0.43) CNR2HDAC3HDAC1HDAC2CYP2D6
SCHEMBL20053089 0.77 KIF11 (0.47) KIF11EPHB4TEKHPGDSALDH1A1
SCHEMBL17517229 0.73 KIF11 (0.41) KIF11MAPTHPGDSALDH1A1SMN1; SMN2
SCHEMBL25557822 0.72 MAPT (0.44) KIF11CNR2MAPTHDAC3HDAC1
SCHEMBL17053296 0.70 MAPT (0.48) MAPTALDH1A1SMN1; SMN2KDM4EHPGD

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-9947482-B2 Photoelectric conversion element, dye-sensitized solar cell, and metal complex dye used in same FUJIFILM CORPORATION (JP) 2018-04-17 US disclosed
US-9947482-B2 Photoelectric conversion element, dye-sensitized solar cell, and metal complex dye used in same FUJIFILM CORPORATION (JP) 2018-04-17 US disclosed
US-20160042875-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, AND METAL COMPLEX DYE USED IN SAME FUJIFILM CORPORATION (JP) 2016-02-11 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-20160042875-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, AND METAL COMPLEX DYE USED IN SAME CRY1, L1CAM, DLK1 KIF11 2579/4885CNR2 4284/4885MAPT 3084/4885

“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.