SCHEMBL5652083

SCHEMBL5652083

O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)N1CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 6/20 0.74
RAB9A P51151 2/20 0.68
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
KMT2A Q03164 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 1/20 0.58
HSD17B10 Q99714 1/20 0.58
BCHE P06276 1/20 0.56
TSHR P16473 2/20 0.56
MEN1 O00255 2/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
AKR1C3 P42330 1/20 0.53

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
SCHEMBL5650677 0.86 LIPE (0.73) LIPERAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL5647461 0.85 LIPE (1.00) LIPERAB9ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL5649217 0.82 HSD17B10 (0.81) RAB9ACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL21616684 0.82 ALDH1A1 (0.71) LIPERAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL31717524 0.81 RAB9A (0.83) LIPERAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL4277143 0.81 ALDH1A1 (0.74) LIPERAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL6670680 0.79 CYP1A2 (0.62) LIPERAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL5651799 0.78 LIPE (0.69) LIPERAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL5650750 0.78 CYP1A2 (0.61) LIPERAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL5647711 0.77 LIPE (0.58) LIPERAB9ACYP1A2SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP claimed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US claimed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO claimed
US-7279470-B2 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2007-10-09 US disclosed
US-7067517-B2 Use of compounds for decreasing activity of hormone-sensitive lipase NERO NORDISK A/S (DK) 2006-06-27 US disclosed
EP-1458375-A2 COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 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 (2 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-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase LIPE, PNLIP, LPL LIPE 1/4885RAB9A 2926/4885CYP1A2 1877/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL LIPE 1/4885RAB9A 3386/4885CYP1A2 2155/4885

“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.