SCHEMBL4262878

SCHEMBL4262878

CCCCCCOc1cc(B2OCC(C)(C)CO2)c(OCCCCCC)cc1B1OCC(C)(C)CO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.34
TLR8 Q9NR97 1/20 0.33
GPR84 Q9NQS5 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CHUK O15111 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKCG P05129 1/20 0.33
CDK1 P06493 1/20 0.33
PIM1 P11309 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CDK2 P24941 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
BLK P51451 1/20 0.33
RPS6KA3 P51812 1/20 0.33
JAK3 P52333 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
SCHEMBL3528986 0.84 RAB9A (0.37) TLR8MEN1KMT2ACHUKDAPK3
SCHEMBL14510509 0.82 RAB9A (0.36) TLR8MEN1KMT2ACHUKDAPK3
SCHEMBL2949499 0.80 LPL (0.45) TLR8MEN1KMT2ACHUKDAPK3
SCHEMBL2956576 0.80 LPL (0.45) TLR8MEN1KMT2ACHUKDAPK3
SCHEMBL4530065 0.80 LPL (0.45) TLR8MEN1KMT2ACHUKDAPK3
SCHEMBL14261541 0.79 PSEN1 (0.33) MEN1KMT2ATSHRTP53NR5A1
SCHEMBL12890197 0.76 LIPG (0.38) MEN1KMT2ACYP3A4MAPTTSHR
SCHEMBL13889922 0.73 PGAM1 (0.32) CYP19A1TLR8MEN1KMT2ACHUK
SCHEMBL13475210 0.73 RAB9A (0.37) MEN1KMT2AMAPTHPGDTSHR
SCHEMBL14666149 0.72 CNR2 (0.35) MEN1KMT2ACYP3A4TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2871199-B1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-02-21 EP disclosed
EP-2871198-B1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-06-14 EP disclosed
US-9453103-B2 Method for producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-27 US disclosed
US-9238665-B2 Method for producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-01-19 US disclosed
US-20150322101-A1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-12 US disclosed
US-20150322199-A1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-12 US disclosed
EP-2871198-A1 METHOD FOR PRODUCING AROMATIC COMPOUND Sumitomo Chemical Company Limited (JP) 2015-05-13 EP disclosed
EP-2871199-A1 METHOD FOR PRODUCING AROMATIC COMPOUND Sumitomo Chemical Company Limited (JP) 2015-05-13 EP disclosed
US-20090048413-A1 Method for Production of Conjugated Polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2009-02-19 US disclosed
EP-1997844-A1 METHOD FOR PRODUCTION OF CONJUGATED POLYMER Sumitomo Chemical Company, Limited (JP) 2008-12-03 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 (2 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-20150322199-A1 METHOD FOR PRODUCING AROMATIC COMPOUND PAH, DDC, DDT CYP19A1 1243/4885TLR8 4153/4885GPR84 3942/4885
US-20150322101-A1 METHOD FOR PRODUCING AROMATIC COMPOUND PAH, DDC, PHOSPHO1 CYP19A1 1211/4885TLR8 4299/4885GPR84 4028/4885

“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.