SCHEMBL3395560

SCHEMBL3395560

COCOc1cc(/C=C/c2cccc(/C=C/c3ccc(OC)c(OCOC)c3)c2)ccc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 7/20 0.60
CYP1B1 Q16678 6/20 0.60
CYP1A2 P05177 4/20 0.60
NQO2 P16083 3/20 0.59
PTGS1 P23219 2/20 0.58
NFE2L2 Q16236 2/20 0.58
APP P05067 7/20 0.57
TUBB1 Q9H4B7 2/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51

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
SCHEMBL5515449 0.84 CYP1A1 (0.81) CYP1A1CYP1B1CYP1A2NQO2PTGS1
SCHEMBL9817944 0.84 CYP1A1 (0.81) CYP1A1CYP1B1CYP1A2NQO2PTGS1
SCHEMBL15460407 0.82 TUBB1 (0.56) CYP1A1CYP1B1CYP1A2NQO2PTGS1
SCHEMBL27940446 0.82 CYP1A1 (0.75) CYP1A1CYP1B1CYP1A2NQO2PTGS1
SCHEMBL4686223 0.81 TUBB1 (0.56) CYP1A1CYP1B1CYP1A2PTGS1NFE2L2
SCHEMBL4686225 0.81 TUBB1 (0.56) CYP1A1CYP1B1CYP1A2PTGS1NFE2L2
SCHEMBL3394561 0.80 ALDH1A1 (0.70) CYP1A2TTR
SCHEMBL31088175 0.80 BACE1 (0.56) NFE2L2ABCG2
SCHEMBL31088177 0.80 BACE1 (0.56) NFE2L2ABCG2
SCHEMBL4679399 0.79 KDM4E (0.75) PTGS1NFE2L2PTGS2ABCG2

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-8410116-B2 Bis(styryl)pyrimidine or bis(styryl)benzene compounds, pharmaceutically acceptable salts thereof, preparation method thereof, and pharmaceutical composition for prevention or treatment of diseases featuring amyloids comprising the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-04-02 US disclosed
US-20100190803-A1 BIS(STYRYL)PYRIMIDINE OR BIS(STYRYL)BENZENE COMPOUNDS, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES FEATURING AMYLOIDS COMPRISING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-07-29 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-20100190803-A1 BIS(STYRYL)PYRIMIDINE OR BIS(STYRYL)BENZENE COMPOUNDS, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES FEATURING AMYLOIDS COMPRISING THE SAME AS AN ACTIVE INGREDIENT PSEN1, APP, BACE1 CYP1A1 104/4885CYP1B1 17/4885CYP1A2 527/4885

“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.