SCHEMBL1096841

SCHEMBL1096841

CC1(C)NC(=O)c2ccccc2C1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
CYP1A2 P05177 1/20 0.38
PARP3 Q9Y6F1 1/20 0.37
FFAR1 O14842 1/20 0.36

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
SCHEMBL3836466 0.78 ALDH1A1 (0.42) MEN1KMT2AALDH1A1EDNRBEDNRA
SCHEMBL1095905 0.78 HSD17B10 (0.40) MEN1KMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL4839724 0.75 GSK3B (0.39) HSD17B10ALDH1A1KDM4EPOLBHPGD
SCHEMBL5822652 0.74 MDM2 (0.39) MEN1KMT2AHSD17B10ALDH1A1EDNRB
SCHEMBL8234450 0.72 HTR2A (0.37) HSD17B10ALDH1A1KDM4EPOLBHPGD
SCHEMBL2597846 0.67 HSD17B10 (0.51) KMT2AHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL27512712 0.67 MEN1 (0.40) MEN1KMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL1096745 0.66 KDM4E (0.47) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL27512711 0.66 TSHR (0.40) MEN1KMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL8136999 0.66 ALDH1A1 (0.47) MEN1KMT2AHSD17B10ALDH1A1KDM4E

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 8 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

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 MEN1 4514/4885KMT2A 4290/4885HSD17B10 50/4885

“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.