SCHEMBL4313304

SCHEMBL4313304

CCCCCCCCCC(CCCCCCCCC)NC(=O)c1ccc2c3cccc4cccc(c5ccc(C(=O)O)c1c52)c43

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TAS1R3 Q7RTX0 2/20 0.38
▸ TAS1R1 Q7RTX1 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CNR2 P34972 6/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ ALOX5 P09917 1/20 0.35

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
SCHEMBL1897757 0.92 ALDH1A1 (0.40) TACR3TAS1R3TAS1R1ALDH1A1CNR2
SCHEMBL31373087 0.92 ALDH1A1 (0.40) TACR3TAS1R3TAS1R1ALDH1A1CNR2
SCHEMBL8883577 0.80 TAS1R3 (0.36) TACR3KDM4EKMT2AL3MBTL1TAS1R3
SCHEMBL8883095 0.79 TAS1R3 (0.35) TACR3KMT2ATAS1R3TAS1R1CNR2
SCHEMBL3623844 0.78 TACR3 (0.37) TACR3KDM4EKMT2AL3MBTL1TAS1R3
SCHEMBL16538080 0.77 NAAA (0.53) KDM4EL3MBTL1ALDH1A1CNR2CNR1
SCHEMBL8883099 0.77 TAS1R3 (0.39) TACR3KDM4EKMT2AL3MBTL1TAS1R3
SCHEMBL18694713 0.76 TAS1R3 (0.47) KDM4EKMT2AL3MBTL1TAS1R3TAS1R1
SCHEMBL8975448 0.76 TAS1R3 (0.37) TACR3KMT2ATAS1R3TAS1R1ALOX5
SCHEMBL16538078 0.76 ALOX5 (0.53) KDM4EL3MBTL1ALDH1A1CNR2CNR1

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-20090056793-A1 BENZOTERRYLENE DERIVATIVES SABIC INNOVATIVE PLASTICS IP BV (NL) 2009-03-05 — — 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-20090056793-A1 BENZOTERRYLENE DERIVATIVES NR2E3, NR1H3, NR1H2 TACR3 1081/4885KDM4E 1340/4885KMT2A 2850/4885

“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.

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