SCHEMBL1114734

SCHEMBL1114734

C=CCC(C(=O)OC)[C@H](O)CCOCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MIF P14174 1/20 0.39
TSHR P16473 1/20 0.38
TEAD3 Q99594 1/20 0.38
CYP2C19 P33261 1/20 0.38
LTA4H P09960 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL1975707 1.00 MAPT (0.40) MAPTHTTSMN1; SMN2MIFTSHR
SCHEMBL16201772 0.85 TSHR (0.41) MAPTHTTSMN1; SMN2TSHRCYP2C19
SCHEMBL16201781 0.85 TSHR (0.41) MAPTHTTSMN1; SMN2TSHRCYP2C19
SCHEMBL6822889 0.81 FAAH (0.44) MAPT
SCHEMBL20185592 0.80 SMN1; SMN2 (0.43) HTTSMN1; SMN2MIFCYP2C19LTA4H
SCHEMBL8301341 0.77 LTA4H (0.46) MIFLTA4HTDP1KMT2ANPC1
SCHEMBL1975297 0.76 CA1 (0.46) HTTSMN1; SMN2TSHRTEAD3CYP2C19
SCHEMBL1975300 0.76 CA1 (0.46) HTTSMN1; SMN2TSHRTEAD3CYP2C19
SCHEMBL24257609 0.76 MAPT (0.40) MAPTHTTSMN1; SMN2TSHRTEAD3
SCHEMBL2913807 0.76 MMP3 (0.48) MIFTSHRLTA4HTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889894-B2 Compounds for use in therapy BANGOR UNIVERSITY (GB) 2014-11-18 US disclosed
US-8728515-B2 Adjuvants for use in vaccination BANGOR UNIVERSITY (GB) 2014-05-20 US disclosed
EP-2620158-A1 Adjuvants for use in vaccination Bangor University (GB) 2013-07-31 EP disclosed
US-20110150981-A1 Compounds for Use in Therapy BANGOR UNIVERSITY (GB) 2011-06-23 US disclosed
US-20110142916-A1 Adjuvants for Use in Vaccination BANGOR UNIVERSITY (GB) 2011-06-16 US disclosed
EP-2278995-A2 COMPOUNDS FOR USE IN THERAPY Bangor University (GB) 2011-02-02 EP disclosed
EP-2278996-A1 ADJUVANTS FOR USE IN VACCINATION Bangor University (GB) 2011-02-02 EP disclosed
WO-2009130506-A2 COMPOUNDS FOR USE IN THERAPY BANGOR UNIVERSITY (GB) 2009-10-29 WO disclosed
WO-2009130508-A1 ADJUVANTS FOR USE IN VACCINATION BANGOR UNIVERSITY (GB) 2009-10-29 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-20110142916-A1 Adjuvants for Use in Vaccination NR1H3, NR1H2, INTS6 MAPT 4766/4885HTT 2273/4885SMN1; SMN2 4082/4885
US-20110150981-A1 Compounds for Use in Therapy CD4, MSR1, TST MAPT 4322/4885HTT 1950/4885SMN1; SMN2 3870/4885

“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.