SCHEMBL1044693

SCHEMBL1044693

COc1cccc(-c2ccc(C)cc2)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.51
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47

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
Toluene SCHEMBL27771682 0.89 NFE2L2 (0.45) NFE2L2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8124287 0.85 STIM1 (0.47) NFE2L2SMN1; SMN2TP53MAPTRAB9A
SCHEMBL10595717 0.85 STIM1 (0.47) NFE2L2SMN1; SMN2TP53MAPTRAB9A
SCHEMBL29788121 0.84 NFE2L2 (0.49) NFE2L2SMN1; SMN2TP53MAPTRAB9A
SCHEMBL357250 0.84 NFE2L2 (0.49) NFE2L2SMN1; SMN2TP53MAPTRAB9A
SCHEMBL1772629 0.83 SMN1; SMN2 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28092583 0.83 MGAM (0.54) SMN1; SMN2TP53MAPTRAB9AKDM4E
SCHEMBL28222892 0.83 CYP19A1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Iodide SCHEMBL29162112 0.82 NFE2L2 (0.47) NFE2L2SMN1; SMN2TP53MAPTRAB9A
SCHEMBL4425113 0.82 SYK (0.56) SMN1; SMN2MAPTRAB9AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
CN-104122754-A Resist underlayer composition, method of forming patterns and semiconductor integrated circuit device including patterns CHEIL IND INC 2014-10-29 CN disclosed
US-7902157-B2 Spirocyclic azetidin(one); e.g. 2,7-diazaspiro[3.5]nonan-1-one; T-type calcium channel blockers; Niemann-Pick C1-like (NPC1L1) antagonists SCHERING CORPORATION (US) 2011-03-08 US disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
US-20080070889-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-03-20 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 (3 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NFE2L2 2330/4885TUBB4A 1570/4885TUBB 1003/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NFE2L2 2330/4885TUBB4A 1570/4885TUBB 1003/4885
US-20080070889-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM CYP46A1, OPRD1, OPRK1 NFE2L2 1730/4885TUBB4A 2976/4885TUBB 2845/4885

“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.