SCHEMBL3384907

SCHEMBL3384907

O=C(OCc1ccccc1)[C@H]1N[C@@H]1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 4/20 0.55
FABP5 Q01469 4/20 0.55
TSHR P16473 1/20 0.48
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HTR2C P28335 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41

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
SCHEMBL3386517 1.00 FABP7 (0.55) FABP7FABP5TSHRALDH1A1TDP1
SCHEMBL830680 0.82 TSHR (0.55) TSHRALDH1A1MAPK1KMT2A
SCHEMBL830682 0.82 TSHR (0.55) TSHRALDH1A1MAPK1KMT2A
SCHEMBL835776 0.82 TSHR (0.55) TSHRALDH1A1MAPK1KMT2A
SCHEMBL13778720 0.80 TSHR (0.57) FABP7FABP5TSHRALDH1A1TDP1
SCHEMBL3142879 0.80 TSHR (0.57) FABP7FABP5TSHRALDH1A1TDP1
SCHEMBL23464707 0.76 ALDH1A1 (0.50) FABP7FABP5TSHRALDH1A1TDP1
SCHEMBL23342969 0.76 ALDH1A1 (0.50) FABP7FABP5TSHRALDH1A1TDP1
SCHEMBL6739703 0.76 SMN1; SMN2 (0.51) ALDH1A1TDP1LMNA
SCHEMBL26349770 0.75 TSHR (0.52) FABP7FABP5TSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904515-B1 SIDE-CHAIN EXTENDED LIGATION AMYLIN PHARMACEUTICALS INC (US) 2010-12-08 EP disclosed
US-20090192300-A1 Side-Chain Extended Ligation GENEPROT INC. (CH) 2009-07-30 US disclosed
EP-1904515-A1 SIDE-CHAIN EXTENDED LIGATION Amylin Pharmaceuticals, Inc. (US) 2008-04-02 EP disclosed
WO-2006133962-A1 SIDE-CHAIN EXTENDED LIGATION AMYLIN PHARMACEUTICALS, INC. (US) 2006-12-21 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 (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-20090192300-A1 Side-Chain Extended Ligation CTH, BCAT1, LNPEP FABP7 2311/4885FABP5 2087/4885TSHR 1881/4885

“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.