SCHEMBL3789460

SCHEMBL3789460

CC(C)(C)Oc1ccc(OC(C)(C)C)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
PPARA Q07869 6/20 0.36
PPARD Q03181 4/20 0.36
PPARG P37231 2/20 0.35
ESRRA P11474 1/20 0.35
HSP90AA1 P07900 1/20 0.34
CYP2C19 P33261 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL23934150 0.90 ALDH1A1 (0.42) KIF11CYP2C19SLC6A4SLC6A2SLC6A3
SCHEMBL13019819 0.88 CA12 (0.48) SLC6A4SLC6A2SLC6A3MRGPRX4HTR2A
SCHEMBL6764273 0.84 HSP90AA1 (0.48) KIF11HSP90AA1SLC6A4SLC6A2SLC6A3
SCHEMBL3790261 0.83 KIF11 (0.41) KIF11PPARAHSP90AA1CYP2C19SLC6A4
SCHEMBL3824427 0.82 KIF11 (0.43) KIF11PPARACYP2C19SLC6A4SLC6A2
SCHEMBL16997499 0.81 CYP3A4 (0.43) KIF11HSP90AA1CYP2C19SLC6A4SLC6A2
SCHEMBL13876906 0.80 SLC6A2 (0.48) HSP90AA1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL27101340 0.79 KIF11 (0.39) KIF11PPARAHSP90AA1CYP2C19MEN1
SCHEMBL6764184 0.79 SOS1 (0.44) KIF11SLC6A4HTR2AKCNH2MEN1
SCHEMBL3790344 0.79 CYP3A4 (0.45) KIF11PPARAHSP90AA1CYP2C19SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657240-A1 Silicon compound, silicon-containing compound, composition for forming resits underlayer film containing the same and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2013-10-30 EP disclosed
US-20130280912-A1 SILICON COMPOUND, SILICON-CONTAINING COMPOUND, COMPOSITION FOR FORMING RESIST UNDERLAYER FILM CONTAINING THE SAME AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-10-24 US disclosed
US-20130280912-A1 SILICON COMPOUND, SILICON-CONTAINING COMPOUND, COMPOSITION FOR FORMING RESIST UNDERLAYER FILM CONTAINING THE SAME AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-10-24 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 KIF11 3999/4885PPARA 1638/4885PPARD 1704/4885

“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.