SCHEMBL8736979

SCHEMBL8736979

Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
PTGS1 P23219 1/20 0.60
SLC6A2 P23975 1/20 0.60
CYP2C19 P33261 1/20 0.60
PTGS2 P35354 1/20 0.60
SLC6A3 Q01959 1/20 0.60
HIF1A Q16665 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
MAOB P27338 5/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
MAOA P21397 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
AR P10275 1/20 0.57
FFAR1 O14842 2/20 0.56
BCHE P06276 1/20 0.55
NR4A1 P22736 1/20 0.53

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
SCHEMBL11853860 0.94 FFAR1 (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL128703 0.94 LMNA (0.67) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL11853089 0.90 MAOB (0.62) MAOBMAPTRAB9ASMN1; SMN2FFAR1
SCHEMBL5538712 0.90 LMNA (0.72) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10128671 0.89 LMNA (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL15474273 0.88 FFAR1 (0.71) MAOBSMN1; SMN2FFAR1FFAR4
SCHEMBL6567421 0.88 MAOB (0.64) MAOBMAOAFFAR1BCHEFFAR4
SCHEMBL11849334 0.88 LMNA (0.69) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL11611966 0.87 LMNA (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2339524 0.86 MAOB (0.65) LMNACYP1A2PTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 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 (4 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 LMNA 3582/4885CYP1A2 958/4885PTGS1 402/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 LMNA 3582/4885CYP1A2 958/4885PTGS1 402/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF LMNA 3637/4885CYP1A2 4238/4885PTGS1 2977/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF LMNA 3637/4885CYP1A2 4238/4885PTGS1 2977/4885

“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.