SCHEMBL6447082

SCHEMBL6447082

CC(c1ccc(-c2ccc(-c3ccc(CO)cc3)cc2)cc1)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.40
EGFR P00533 1/20 0.40
MGLL Q99685 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ADAMTS4 O75173 1/20 0.38
ALOX5 P09917 2/20 0.37
PYCR1 P32322 1/20 0.35
KIF11 P52732 1/20 0.35
NEK1 Q96PY6 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL11141687 0.94 ALOX5 (0.40) CSF1REGFRALOX5PYCR1
SCHEMBL5554028 0.83 PRKCI (0.50) MGLLADAMTS4
SCHEMBL9344176 0.79 IDO1 (0.47) MKNK1MKNK2ADAMTS4PYCR1KIF11
SCHEMBL5553131 0.78 PDCD1 (0.41) NEK1
SCHEMBL18762840 0.76 CHRNA7 (0.43) ALOX5PYCR1NEK1
SCHEMBL18899612 0.75 TSHR (0.48) ALOX5PYCR1TAAR1
SCHEMBL5549443 0.74 PYCR1 (0.55) HRH3ALOX5PYCR1
SCHEMBL679970 0.73 MKNK1 (0.56) HRH3MKNK1MKNK2KIF11
SCHEMBL11310791 0.73 MKNK1 (0.56) HRH3MKNK1MKNK2KIF11
SCHEMBL24575474 0.72 LPL (0.41) MGLLPYCR1

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-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 US claimed
US-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 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-20050245543-A1 Histamine-3 receptor antagonists HRH3, HRH4, HRH2 CSF1R 319/4885EGFR 1706/4885MGLL 2138/4885

“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.