SCHEMBL1772406

SCHEMBL1772406

C#Cc1cccc(OCCOCC)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.45
▸ ILK Q13418 2/20 0.45
▸ KDM4E B2RXH2 4/20 0.43
▸ HTT P42858 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ NCF1 P14598 2/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ APP P05067 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL12251491 0.84 TP53 (0.53) KDM4EHTTL3MBTL1LMNAMAPK1
SCHEMBL2971332 0.83 EGFR (0.46) EGFRILKKDM4ELMNAMAPK1
SCHEMBL30924197 0.83 EGFR (0.46) EGFRILKKDM4ELMNAMAPK1
SCHEMBL15219217 0.82 KDM4E (0.57) KDM4EHTTMEN1KMT2ATAAR1
SCHEMBL12344398 0.81 L3MBTL1 (0.46) EGFRILKKDM4ENCF1L3MBTL1
SCHEMBL16669059 0.81 KDM4E (0.59) KDM4EHTTMEN1KMT2ATAAR1
SCHEMBL16667635 0.81 KDM4E (0.59) KDM4EHTTMEN1KMT2ATAAR1
SCHEMBL3680649 0.81 TSHR (0.59) TSHR
SCHEMBL6089720 0.79 EGFR (0.41) EGFRILKKDM4ELMNAMAPK1
SCHEMBL14698298 0.78 KCNH2 (0.41) EGFRTAAR1ALDH1A1APP

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-8338452-B2 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-25 — — US disclosed
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Bio Pharma Inc. (US) 2011-05-12 — — US disclosed
EP-2265608-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2010-12-29 — — EP disclosed
WO-2009111278-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-09-11 — — WO 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-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF EGFR 540/4885ILK 2081/4885KDM4E 3705/4885

“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.

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