SCHEMBL13890691

SCHEMBL13890691

CCc1ccc(N=O)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
HSP90AA1 P07900 2/20 0.40
TYR P14679 3/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
ALOX15 P16050 2/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 2/20 0.35
TP53 P04637 2/20 0.35
TSHR P16473 2/20 0.35
BACE1 P56817 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DAO P14920 1/20 0.35
DDO Q99489 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
SCHEMBL13094051 0.79 MEN1 (0.48) TYRALOX15BACE1MEN1MAPT
SCHEMBL17734148 0.77 CYP2C9 (0.42) GABRA1GABRB2HSP90AA1TP53
SCHEMBL13890689 0.77 ALDH1A1 (0.35) GABRA1GABRB2ALOX15HTTTP53
SCHEMBL11940287 0.77 ALDH1A1 (0.35) GABRA1GABRB2ALOX15HTTTP53
SCHEMBL9877225 0.76 GABRA1 (0.46) GABRA1GABRB2HSP90AA1ESR1ESR2
SCHEMBL12549355 0.75 ALDH1A1 (0.34) GABRA1GABRB2ALOX15TP53TSHR
SCHEMBL3316934 0.75 PTGS2 (0.48) HSP90AA1ALOX15HTTTP53MEN1
SCHEMBL12206647 0.74 MAPT (0.58) ALOX15TSHRBACE1MEN1ALOX5
SCHEMBL21087428 0.74 TSHR (0.46) HSP90AA1ALOX15ALOX12HTTTP53
SCHEMBL40375 0.73 TYR (0.65) TYRALOX15HTTTP53TSHR

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-20090099175-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2009-04-16 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-20090099175-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A GABRA1 1691/4885GABRB2 1181/4885HSP90AA1 3518/4885

“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.