SCHEMBL3450091

SCHEMBL3450091

COCCn1cc(C(=O)O)c(=O)c2c[c]ccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CNR2 P34972 4/20 0.46
CNR1 P21554 3/20 0.46
CHRM1 P11229 1/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3376301 0.86 LMNA (0.49) ALDH1A1TSHRKDM4EHPGDRAB9A
SCHEMBL3653448 0.82 CNR2 (0.47) ALDH1A1TSHRCNR2CNR1LMNA
SCHEMBL9028491 0.82 LMNA (0.63) ALDH1A1TSHRCNR2CNR1CHRM1
SCHEMBL10086145 0.79 ALDH1A1 (0.56) ALDH1A1TSHRKDM4EHPGDRAB9A
SCHEMBL4154426 0.78 KDM4E (0.55) ALDH1A1TSHRKDM4EHPGDRAB9A
SCHEMBL4737409 0.76 CNR2 (0.39) ALDH1A1CNR2CNR1LMNAMAPT
SCHEMBL6042188 0.75 CNR2 (0.70) ALDH1A1TSHRCNR2CNR1LMNA
SCHEMBL5012269 0.72 KDM4E (0.43) ALDH1A1TSHRKDM4EHPGDRAB9A
SCHEMBL27794869 0.71 ALDH1A1 (0.72) ALDH1A1TSHRKDM4EHPGDRAB9A
SCHEMBL2053427 0.71 CNR2 (0.55) ALDH1A1TSHRCNR2CNR1MAPT

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD ALDH1A1 530/4885TSHR 4310/4885KDM4E 3882/4885

“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.