SCHEMBL1096745

SCHEMBL1096745

CC1(C)C(C(=O)O)c2ccccc2C(=O)N1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 2/20 0.41
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
FFAR1 O14842 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL1097847 0.81 KDM4E (0.47) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL5543565 0.77 ALDH1A1 (0.47) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL10051931 0.77 TSHR (0.45) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL27975046 0.75 KMT2A (0.37) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL27512712 0.70 MEN1 (0.40) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL31502962 0.70 THRB (0.47) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL27512711 0.69 TSHR (0.40) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL31502964 0.69 MAPT (0.51) MEN1KMT2AALDH1A1HTT
SCHEMBL6088862 0.69 KDM4E (0.56) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL1097065 0.68 CYP11B2 (0.53) KDM4ETSHRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
US-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
US-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
EP-2001866-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-17 EP disclosed
WO-2007117982-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 WO disclosed
WO-2007117982-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 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 (1 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-20090182007-A1 ORGANIC COMPOUNDS REN, CYP17A1, HSD17B1 KDM4E 1926/4885MEN1 4514/4885KMT2A 4290/4885

“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.