SCHEMBL13348447

SCHEMBL13348447

C=C1OB(c2cccc(N3CCC(C(=O)OC)C3)c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.41
HSD11B1 P28845 1/20 0.39
MAPT P10636 2/20 0.38
PDK2 Q15119 1/20 0.38
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KCNMA1 Q12791 1/20 0.33
TMPRSS15 P98073 1/20 0.33

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
SCHEMBL3374553 0.86 NOTUM (0.46) NOTUMHSD11B1MAPTPDK2PDE3B
SCHEMBL13348310 0.81 BACE1 (0.35) PDK2ALDH1A1
SCHEMBL3448923 0.80 NOTUM (0.39) NOTUMHSD11B1MAPTPDK2MTNR1A
SCHEMBL13348210 0.80 RAB9A (0.33) KMT2AALDH1A1RAB9A
SCHEMBL18580653 0.77 LIPG (0.36) NOTUMHSD11B1MAPTPDK2MEN1
SCHEMBL12300472 0.75 USP2 (0.31) ALDH1A1HSD17B10
SCHEMBL12959306 0.74 KMO (0.40) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL11961577 0.74 ADRA2C (0.44) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL3345705 0.74 NOTUM (0.53) NOTUMHSD11B1MAPTPDK2PDE3B
SCHEMBL13420961 0.74 NOTUM (0.60) NOTUM

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 NOTUM 831/4885HSD11B1 642/4885MAPT 3947/4885

“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.