SCHEMBL2436442

SCHEMBL2436442

CC(C)n1cc(C(=O)O)c2ccc(OCc3ccccc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.53
LTB4R2 Q9NPC1 1/20 0.53
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
MDH2 P40926 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SRD5A2 P31213 1/20 0.48
MAOB P27338 1/20 0.48
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
EDNRA P25101 1/20 0.46
ALKBH1 Q13686 1/20 0.46
MCL1 Q07820 1/20 0.45
NR4A2 P43354 2/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 0.45
SLC16A3 O15427 1/20 0.45
P2RY14 Q15391 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL2437179 0.90 NPC1 (0.45) LTB4RLTB4R2HPGDSMN1; SMN2SRD5A2
SCHEMBL2433126 0.84 LTB4R (0.55) LTB4RLTB4R2ALDH1A1HPGDMDH2
SCHEMBL2434338 0.82 LTB4R (0.61) LTB4RLTB4R2ALDH1A1HPGDMDH2
SCHEMBL2643501 0.81 KDM4E (0.48) ALDH1A1HPGDSMN1; SMN2
SCHEMBL2434118 0.79 LRRK2 (0.49) ALDH1A1HPGDMEN1KMT2A
SCHEMBL2706652 0.76 CA12 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL3386836 0.76 LTB4R (0.66) LTB4RLTB4R2ALDH1A1CNR1CNR2
SCHEMBL18284168 0.75 LTB4R (0.52) LTB4RLTB4R2ALDH1A1HPGDMDH2
SCHEMBL27732143 0.75 CNR1 (0.49) LTB4RLTB4R2ALDH1A1HPGDMDH2
SCHEMBL2082208 0.74 CA12 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor NOVARTIS AG (CH) 2012-07-05 US disclosed
EP-1945217-B1 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER NOVARTIS AG (CH) 2012-05-02 EP disclosed
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG 2011-12-08 US disclosed
US-8026247-B2 Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2011-09-27 US disclosed
CN-101693709-A Bicyclic amides as kinase inhibitors NOVARTIS AG 2010-04-14 CN disclosed
US-20080306058-A1 Combinations Comprising a Vegf Receptor Inhibitor NOVARTIS AG 2008-12-11 US disclosed
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors NOVARTIS AG (CH) 2008-11-20 US disclosed
CN-101304747-A Combinations comprising a VEGF receptor inhibitor and a penetration enhancer NOVARTIS AG (CH) 2008-11-12 CN disclosed
EP-1945217-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER Novartis AG (CH) 2008-07-23 EP disclosed
CN-101018784-A Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2007-08-15 CN disclosed
EP-1794149-A2 BICYCLIC AMIDES AS KINASE INHIBITORS Novartis AG (CH) 2007-06-13 EP disclosed
WO-2007031265-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER NOVARTIS AG (CH) 2007-03-22 WO disclosed
WO-2006059234-A2 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-06-08 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 (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-20080306058-A1 Combinations Comprising a Vegf Receptor Inhibitor KDR, FLT4, FLT1 LTB4R 631/4885LTB4R2 864/4885ALDH1A1 3232/4885
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 LTB4R 3508/4885LTB4R2 3193/4885ALDH1A1 2819/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 LTB4R 3505/4885LTB4R2 3227/4885ALDH1A1 3019/4885
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor KDR, FLT4, FLT1 LTB4R 631/4885LTB4R2 864/4885ALDH1A1 3232/4885

“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.