SCHEMBL16489094

SCHEMBL16489094

CCOC(=O)C1=CCCCC1C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 8/20 0.45
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL19726325 0.90 TLR4 (0.43) TLR4RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8746923 0.83 TLR4 (0.47) TLR4RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL18059820 0.82 TLR4 (0.46) TLR4RAB9ANPC1MAPTTSHR
SCHEMBL10229490 0.82 TLR4 (0.44) TLR4RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL23417814 0.81 KCNH2 (0.41) TLR4RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL10632667 0.81 MAPT (0.44) TLR4ALDH1A1MAPTKDM4ELMNA
SCHEMBL10178083 0.78 TLR4 (0.55) TLR4RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL16491621 0.78 TLR4 (0.57) TLR4RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL8746914 0.78 TLR4 (0.42) TLR4RAB9ANPC1ALDH1A1KDM4E
SCHEMBL18204522 0.77 TLR4 (0.41) TLR4RAB9ANPC1TSHR

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-9957287-B2 Methods and compositions to treat type-1 and type-2 diabetes CORNELL UNIVERSITY (US) 2018-05-01 US disclosed
US-20170342097-A1 METHODS AND COMPOSITIONS TO TREAT TYPE-1 AND TYPE-2 DIABETES CORNELL UNIVERSITY 2017-11-30 US disclosed
US-20150051256-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-19 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 (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-20170342097-A1 METHODS AND COMPOSITIONS TO TREAT TYPE-1 AND TYPE-2 DIABETES IAPP, GPR119, IRS1 TLR4 13/4885RAB9A 4224/4885NPC1 2023/4885
US-20150051256-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885RAB9A 1383/4885NPC1 3492/4885

“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.