SCHEMBL89628

SCHEMBL89628

COCCCOc1cc(C(=O)O)cc(OC)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PLA2G2A P14555 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
PKM P14618 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
HCAR3 P49019 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
PTGS2 P35354 1/20 0.38

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
SCHEMBL3216400 0.86 TAS1R3 (0.39) KDM4EALDH1A1TDP1PLA2G2AHCAR3
SCHEMBL19330352 0.85 ALDH1A1 (0.51) KDM4EALDH1A1LMNATDP1PLA2G2A
SCHEMBL88994 0.85 PLA2G2A (0.40) KDM4EALDH1A1PLA2G2AHCAR3FFAR4
SCHEMBL668838 0.82 KDM4E (0.69) KDM4EALDH1A1LMNATDP1CA12
SCHEMBL8235386 0.82 ALDH1A1 (0.45) KDM4EALDH1A1LMNATDP1PLA2G2A
SCHEMBL19330396 0.81 KDM4E (0.55) KDM4EALDH1A1LMNATDP1PLA2G2A
SCHEMBL13490849 0.79 KDM4C (0.49) KDM4EALDH1A1HCAR3
SCHEMBL1911369 0.79 ALDH1A1 (0.36) KDM4EALDH1A1LMNATDP1FFAR4
SCHEMBL3714048 0.78 TAS1R3 (0.40) KDM4EALDH1A1PLA2G2AHCAR3FFAR4
SCHEMBL89165 0.77 FDPS (0.38) KDM4EALDH1A1LMNATDP1FFAR4

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 KDM4E 1650/4885ALDH1A1 38/4885LMNA 1594/4885

“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.