SCHEMBL12415340

SCHEMBL12415340

CC(C)(C)c1ccc2c(-c3ccccc3)c3cc(C(C)(C)C)ccc3c(Cl)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.39
DPP4 P27487 3/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
RORC P51449 4/20 0.36
SERPINE1 P05121 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
CNR1 P21554 2/20 0.34

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
SCHEMBL29886458 0.90 KIF11 (0.46) KIF11ESR1RORCSERPINE1L3MBTL1
SCHEMBL1063342 0.90 KIF11 (0.46) KIF11ESR1RORCSERPINE1L3MBTL1
SCHEMBL1322254 0.88 KIF11 (0.49) KIF11ESR1ESR2RORCSERPINE1
SCHEMBL2700619 0.86 CNR1 (0.43) KIF11DPP4ESR1ESR2RORC
SCHEMBL29416708 0.85 KIF11 (0.46) KIF11SERPINE1L3MBTL1NPC1ALDH1A1
SCHEMBL261257 0.85 KIF11 (0.46) KIF11SERPINE1L3MBTL1NPC1ALDH1A1
SCHEMBL12415332 0.81 TNKS (0.40) KIF11L3MBTL1NPC1ALDH1A1RAB9A
SCHEMBL12415326 0.81 KIF11 (0.39) KIF11SERPINE1L3MBTL1NPC1ALDH1A1
SCHEMBL2700290 0.81 KIF11 (0.42) KIF11ESR1ESR2RORCSERPINE1
SCHEMBL475529 0.80 KIF11 (0.41) KIF11SERPINE1L3MBTL1NPC1ALDH1A1

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-8283855-B2 Method for synthesis of anthracene derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-10-09 US disclosed
US-8283855-B2 Method for synthesis of anthracene derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-10-09 US disclosed
US-20110172441-A1 METHOD FOR SYNTHESIS OF ANTHRACENE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-07-14 US disclosed
US-20110172441-A1 METHOD FOR SYNTHESIS OF ANTHRACENE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-07-14 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-20110172441-A1 METHOD FOR SYNTHESIS OF ANTHRACENE DERIVATIVE CYP1A1, AHR, CYP2C9 KIF11 3694/4885DPP4 2497/4885ESR1 1738/4885

“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.