SCHEMBL6880127

SCHEMBL6880127

CCc1cnc(-c2ccc(/C=C/CO)cc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38
RARB P10826 1/20 0.38
KDM4E B2RXH2 7/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
HPGD P15428 4/20 0.37
MITF O75030 1/20 0.37
KLF5 Q13887 1/20 0.37
RAB9A P51151 7/20 0.37
NPC1 O15118 6/20 0.37
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MEN1 O00255 2/20 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
SCHEMBL6880131 1.00 ALDH1A1 (0.38) ALDH1A1CYP3A4RECQLRARBKDM4E
SCHEMBL6854034 0.81 RARB (0.36) ALDH1A1RARBKDM4ESMN1; SMN2HPGD
SCHEMBL6850537 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4RECQLKDM4ESMN1; SMN2
SCHEMBL6876935 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4RECQLKDM4ESMN1; SMN2
SCHEMBL6876926 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4RECQLKDM4ESMN1; SMN2
SCHEMBL6850530 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4RECQLKDM4ESMN1; SMN2
SCHEMBL6228723 0.78 ADRB2 (0.44) ALDH1A1CYP3A4RECQLRAB9ANPC1
SCHEMBL6228721 0.78 ADRB2 (0.44) ALDH1A1CYP3A4RECQLRAB9ANPC1
SCHEMBL2837688 0.77 ALOX5 (0.52) ALDH1A1CYP3A4RECQLKDM4ESMN1; SMN2
SCHEMBL2837690 0.77 ALOX5 (0.52) ALDH1A1CYP3A4RECQLKDM4ESMN1; SMN2

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-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 ALDH1A1 2109/4885CYP3A4 1004/4885RECQL 2902/4885

“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.