SCHEMBL5397905

SCHEMBL5397905

C=Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.37
ASIC1 P78348 1/20 0.36
TSHR P16473 2/20 0.34
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
HTR1D P28221 1/20 0.34
ADRA1A P35348 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
XDH P47989 1/20 0.34
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
AMY1A P0DUB6 1/20 0.33
PKM P14618 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
SCHEMBL17849333 1.00 KIF11 (0.41) KIF11ALDH1A1CYP1A2ASIC1TSHR
SCHEMBL5491165 0.94 ALDH1A1 (0.44) KIF11ALDH1A1CYP1A2TSHRGRIN2D
SCHEMBL14292451 0.91 RAB9A (0.44) KIF11ALDH1A1CYP1A2ASIC1XDH
SCHEMBL9131731 0.87 KIF11 (0.48) KIF11ALDH1A1CYP1A2ASIC1TSHR
SCHEMBL13358460 0.85 CYP1A2 (0.47) KIF11ALDH1A1CYP1A2ASIC1TSHR
SCHEMBL10020861 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHR
SCHEMBL16343998 0.84 KIF11 (0.54) KIF11ALDH1A1TSHRHTR1DADRA1A
SCHEMBL17529598 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHR
SCHEMBL8642413 0.84 KIF11 (0.54) KIF11ALDH1A1TSHRHTR1DADRA1A
SCHEMBL12951069 0.84 KIF11 (0.54) KIF11ALDH1A1TSHRHTR1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160634-B2 Vinyl polymer and organic electroluminescent device Shirota, Yasuhiko (JP) 2007-01-09 US disclosed
US-7038086-B2 Vinyl polymer and organic electroluminescent device Shirota, Yasuhiko (JP) 2006-05-02 US disclosed
US-20060049750-A1 Vinyl polymer and organic electroluminescent device SHIROTA YASUHIKO 2006-03-09 US disclosed
US-20040199016-A1 Vinyl polymer and organic electroluminescent device DAICEL CHEMICAL INDUSTRIES, LTD. 2004-10-07 US disclosed
US-6784318-B2 HEAT RESISTANCE YASUHIKO SHIROTA (JP) 2004-08-31 US disclosed
US-20030164678-A1 Vinyl polymer and organic electroluminescent device DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-04 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 (3 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-20060049750-A1 Vinyl polymer and organic electroluminescent device HVCN1, VCL, ELAVL1 KIF11 293/4885ALDH1A1 683/4885CYP1A2 1678/4885
US-20030164678-A1 Vinyl polymer and organic electroluminescent device HVCN1, VMP1, ELAVL1 KIF11 399/4885ALDH1A1 648/4885CYP1A2 2389/4885
US-20040199016-A1 Vinyl polymer and organic electroluminescent device HVCN1, VMP1, ELAVL1 KIF11 344/4885ALDH1A1 681/4885CYP1A2 2373/4885

“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.