SCHEMBL3185265

SCHEMBL3185265

C=CCCCOc1cccc(C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
KMT2A Q03164 1/20 0.63
NR4A2 P43354 5/20 0.55
PLA2G4B P0C869 1/20 0.54
NR1H4 Q96RI1 4/20 0.52
PRSS1 P07477 1/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
AKR1C3 P42330 1/20 0.50
TBXAS1 P24557 1/20 0.50
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL3186894 0.97 KMT2A (0.63) ALDH1A1L3MBTL1KMT2ANR4A2PLA2G4B
SCHEMBL3186986 0.95 KMT2A (0.61) ALDH1A1L3MBTL1KMT2ANR4A2PLA2G4B
SCHEMBL850469 0.92 KMT2A (0.65) ALDH1A1L3MBTL1KMT2ANR4A2PLA2G4B
SCHEMBL9803295 0.87 KMT2A (0.80) KMT2ANR4A2PLA2G4BNR1H4PRSS1
SCHEMBL4509654 0.85 KMT2A (0.77) KMT2ANR4A2PLA2G4BNR1H4PRSS1
SCHEMBL202782 0.85 PRSS1 (0.55) ALDH1A1L3MBTL1KMT2APRSS1
SCHEMBL201121 0.84 PRSS1 (0.56) ALDH1A1L3MBTL1KMT2APRSS1
SCHEMBL201096 0.84 PRSS1 (0.56) ALDH1A1L3MBTL1KMT2APRSS1
SCHEMBL30167982 0.84 KMT2A (0.80) KMT2ANR4A2PLA2G4BNR1H4PRSS1
SCHEMBL10787479 0.84 KMT2A (0.80) KMT2ANR4A2PLA2G4BNR1H4PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof NOVARTIS AG 2010-01-28 US disclosed
US-7612055-B2 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
US-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2007-03-29 US disclosed
EP-1682521-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF Novartis AG (CH) 2006-07-26 EP disclosed
WO-2005049585-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF NOVARTIS AG (CH) 2005-06-02 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 (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-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof RPS11, MRPL21, RPS4Y1 ALDH1A1 4236/4885L3MBTL1 4378/4885KMT2A 3031/4885
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof RPS11, MRPL21, RPS4Y1 ALDH1A1 4236/4885L3MBTL1 4378/4885KMT2A 3031/4885

“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.