SCHEMBL10154878

SCHEMBL10154878

O=C(O)C1CCCCCCC(C2CCCCCCCCCCCC2)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
HSD11B1 P28845 4/20 0.48
TSHR P16473 3/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
PMP22 Q01453 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46

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
Biphenyl SCHEMBL10818891 1.00 CES2 (0.52) CES2CES1HSD11B1TSHRGABRP
SCHEMBL17070217 0.92 LMNA (0.44) CES2CES1HSD11B1TSHRGABRP
SCHEMBL9062383 0.92 LMNA (0.44) CES2CES1HSD11B1TSHRGABRP
SCHEMBL11070544 0.92 LMNA (0.44) CES2CES1HSD11B1TSHRGABRP
SCHEMBL6225010 0.92 LMNA (0.44) CES2CES1HSD11B1TSHRGABRP
SCHEMBL25212375 0.91 CES2 (0.61) CES2CES1HSD11B1TSHRGABRP
SCHEMBL10188550 0.91 CES2 (0.61) CES2CES1HSD11B1TSHRGABRP
SCHEMBL12491655 0.91 CES2 (0.61) CES2CES1HSD11B1TSHRGABRP
SCHEMBL5493736 0.91 CES2 (0.61) CES2CES1HSD11B1TSHRGABRP
SCHEMBL242069 0.91 CES2 (0.61) CES2CES1HSD11B1TSHRGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 CES2 220/4885CES1 31/4885HSD11B1 592/4885

“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.