SCHEMBL10101767

SCHEMBL10101767

C/C(=N\OCc1ccc(C)cc1)c1cc(O)c(C)cc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.40
MMP12 P39900 1/20 0.39
BCL2L1 Q07817 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
ESR1 P03372 1/20 0.35
GRIN2B Q13224 1/20 0.34
PTGER4 P35408 1/20 0.34
PPARD Q03181 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CA12 O43570 1/20 0.33
MAPK1 P28482 1/20 0.33
AR P10275 2/20 0.32

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
SCHEMBL10101769 0.89 S1PR1 (0.42) S1PR1MMP12MAPTPOLBGAA
SCHEMBL10102144 0.88 PSD (0.40) BCL2L1MAPTPOLBGAAESR1
SCHEMBL10101773 0.88 S1PR1 (0.43) S1PR1MAPTPOLBGAAL3MBTL1
SCHEMBL10101757 0.87 S1PR1 (0.41) S1PR1MAPTPOLBGAAL3MBTL1
SCHEMBL10101765 0.86 CA12 (0.44) S1PR1MAPTPOLBGAAL3MBTL1
SCHEMBL10101774 0.84 BACE1 (0.40) S1PR1MMP12MAPTPOLBGAA
SCHEMBL10101760 0.84 L3MBTL1 (0.42) S1PR1MAPTPOLBGAAL3MBTL1
SCHEMBL10101753 0.84 MAPK1 (0.41) S1PR1MAPTPOLBGAAL3MBTL1
SCHEMBL10102149 0.80 SMN1; SMN2 (0.40) S1PR1MAPTGAAL3MBTL1ACHE
SCHEMBL10101752 0.79 POLB (0.41) S1PR1MAPTPOLBGAAL3MBTL1

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-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 S1PR1 909/4885MMP12 122/4885BCL2L1 2445/4885

“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.