SCHEMBL88798

SCHEMBL88798

COCCCOc1cc(C)ccc1C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
L3MBTL1 Q9Y468 4/20 0.60
HTT P42858 3/20 0.60
HSP90AA1 P07900 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 2/20 0.49
KDM4E B2RXH2 3/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 1/20 0.44
PPARG P37231 2/20 0.43
TTR P02766 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C8 P10632 1/20 0.43
CHRM1 P11229 1/20 0.43
CYP2C9 P11712 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL3078708 0.86 MAPT (0.65) LMNAMAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL6042575 0.84 TSHR (0.53) LMNAMAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL23267707 0.84 SMN1; SMN2 (0.56) LMNAMAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL89047 0.83 PTGDR2 (0.49) LMNAMAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL6043225 0.83 HTT (0.61) LMNAMAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL15087904 0.83 LMNA (0.47) LMNAMAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL1911358 0.83 LMNA (0.47) LMNAMAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL4276935 0.80 TSHR (0.62) LMNAMAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL13313222 0.79 LMNA (0.73) LMNAMAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL15296804 0.79 HTT (0.50) LMNAMAPTSMN1; SMN2L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 LMNA 1594/4885MAPT 1089/4885SMN1; SMN2 1867/4885

“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.