SCHEMBL1611056

SCHEMBL1611056

C/C=[C]/c1ccc(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 3/20 0.35
CYP2A6 P11509 2/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 2/20 0.34
ADRA2A P08913 1/20 0.34
RAPGEF4 Q8WZA2 3/20 0.33
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPA1 O75762 1/20 0.31
ACHE P22303 2/20 0.31
AMY1A P0DUB6 1/20 0.31
PYCR1 P32322 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 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
SCHEMBL1609399 0.82 TDP1 (0.39) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL1610179 0.77 TDP1 (0.35) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL3686045 0.75 TDP1 (0.46) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL1610737 0.74 TP53 (0.33) TDP1TP53CYP3A4ADRA2ASMN1; SMN2
SCHEMBL1610998 0.73 RAPGEF4 (0.32) RAPGEF4
SCHEMBL9196607 0.71 TSHR (0.52) TDP1CYP1A2CYP2A6ALDH1A1CYP3A4
SCHEMBL1610051 0.71 TSHR (0.52) TDP1CYP1A2CYP2A6ALDH1A1CYP3A4
SCHEMBL935347 0.71 TDP1 (0.42) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL1611111 0.71 TDP1 (0.42) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL277588 0.71 TSHR (0.52) TDP1TP53CYP1A2CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 TDP1 2129/4885TP53 1684/4885CYP1A2 125/4885

“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.