SCHEMBL6386142

SCHEMBL6386142

CCOC(=O)c1cnccc1C=Cc1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ TP53 P04637 3/20 0.44
▸ CCNC P24863 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ ALDH1A1 P00352 7/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GMNN O75496 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CASP1 P29466 1/20 0.39

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
SCHEMBL6386138 1.00 TSHR (0.47) TSHRTP53CCNCCDK8ALDH1A1
SCHEMBL6387533 0.87 TSHR (0.45) TSHRTP53CCNCCDK8ALDH1A1
SCHEMBL6387535 0.87 TSHR (0.45) TSHRTP53CCNCCDK8ALDH1A1
SCHEMBL28930016 0.83 TSHR (0.45) TSHRTP53CCNCCDK8ALDH1A1
SCHEMBL27185413 0.80 TSHR (0.47) TSHRTP53CCNCCDK8ALDH1A1
Bromide SCHEMBL25305290 0.80 SRC (0.40) TSHRTP53CCNCCDK8ALDH1A1
SCHEMBL28671837 0.79 TSHR (0.46) TSHRTP53CCNCCDK8ALDH1A1
SCHEMBL7664873 0.78 TSHR (0.54) TSHRTP53ALDH1A1HSD17B10NPSR1
SCHEMBL29570949 0.77 SIRT3 (0.58) TSHRTP53ALDH1A1HSD17B10NPC1
SCHEMBL907851 0.77 SIRT3 (0.58) TSHRTP53ALDH1A1HSD17B10NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 — — US disclosed
EP-1458684-A2 THERAPEUTIC HETEROCYCLES AstraZeneca AB (SE) 2004-09-22 — — EP disclosed
WO-2003051276-A2 THERAPEUTIC HETEROCYCLES ASTRAZENECA AB (SE) 2003-06-26 — — WO 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-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 TSHR 1035/4885TP53 2717/4885CCNC 386/4885

“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.

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