SCHEMBL89635

SCHEMBL89635

CCc1cc(CO)cc(OCCCOC)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.33
KMT2A Q03164 2/20 0.32
THRB P10828 1/20 0.32
SMPD1 P17405 1/20 0.31
ALDH1A1 P00352 2/20 0.30
GAA P10253 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL88767 0.89 ALDH1A1 (0.33) KMT2ASMPD1ALDH1A1GAAKDM4E
SCHEMBL15087930 0.84 MEN1 (0.30) KMT2AALDH1A1GAAMEN1LMNA
SCHEMBL1911369 0.84 ALDH1A1 (0.36) CBFBKMT2ATHRBALDH1A1GAA
SCHEMBL8264238 0.81 RECQL (0.39) CBFBKMT2ATHRBLMNAPOLB
SCHEMBL88994 0.78 PLA2G2A (0.40) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL88993 0.76 ALDH1A1 (0.40) KMT2AALDH1A1KDM4EMEN1POLB
SCHEMBL89363 0.76 ALDH1A1 (0.37) KMT2AALDH1A1GAAKDM4EMEN1
SCHEMBL5898465 0.75 NOS3 (0.40) KDM4EPOLBMAPT
SCHEMBL8263374 0.74 LOXL2 (0.45) CBFBPOLB
SCHEMBL13490769 0.73 SMN1; SMN2 (0.36) KMT2AALDH1A1GAAKDM4EMEN1

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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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 (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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 CBFB 3467/4885KMT2A 3129/4885THRB 1041/4885

“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.