SCHEMBL889272

SCHEMBL889272

CCCOC(=O)CCN(CCC(=O)OCCC)CCc1c[nH]cn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 4/20 0.33
DGKA P23743 1/20 0.33
GLA P06280 1/20 0.33
TOP2A P11388 2/20 0.33
CDYL Q9Y232 1/20 0.32
DNM1 Q05193 1/20 0.32
DRD2 P14416 1/20 0.32
LTA4H P09960 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL889253 0.90 THRA (0.44) THRATHRBALDH1A1DGKADNM1
SCHEMBL12792475 0.90 THRA (0.44) THRATHRBALDH1A1DGKADNM1
SCHEMBL12847847 0.84 HPRT1 (0.39) ALDH1A1LTA4HMAPTLMNAKDM4E
SCHEMBL889268 0.80 ALDH1A1 (0.41) ALDH1A1DGKAGLATOP2ALTA4H
SCHEMBL10820626 0.78 FAAH (0.43) THRATHRBALDH1A1MAPTLMNA
SCHEMBL3007160 0.78 ALDH1A1 (0.37) ALDH1A1GLAMAPK1LMNAKDM4E
SCHEMBL16638657 0.78 HPRT1 (0.34)
SCHEMBL16638617 0.76 CAPN1 (0.39)
SCHEMBL12847510 0.76 MTNR1A (0.30)
SCHEMBL19051593 0.76 SMN1; SMN2 (0.43) ALDH1A1TOP2AMAPTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009222-A1 MODULATION OF THE IMMUNE RESPONSE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-01-12 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-20120009222-A1 MODULATION OF THE IMMUNE RESPONSE FCGRT, MYD88, C3AR1 THRA 3682/4885THRB 4260/4885ALDH1A1 2506/4885

“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.