SCHEMBL6645233

SCHEMBL6645233

CCN(CC)C(=O)c1ccccc1Cc1cccc(C)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 2/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KEAP1 Q14145 1/20 0.45
HCRTR1 O43613 3/20 0.43
HCRTR2 O43614 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNA5 P22460 1/20 0.43
RAB9A P51151 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL17914153 0.85 TSHR (0.60) HPGDTDP1TSHRMAPK1ALDH1A1
SCHEMBL6643903 0.84 TSHR (0.52) HPGDTDP1TSHRMAPK1KDM4E
SCHEMBL6644093 0.83 KMT2A (0.51) HPGDTSHRMAPK1KDM4EALDH1A1
SCHEMBL28412131 0.82 TSHR (0.50) HPGDTDP1TSHRKDM4EALDH1A1
SCHEMBL2628166 0.81 TSHR (0.57) HPGDTSHRKDM4EALDH1A1HSD17B10
SCHEMBL6644528 0.81 TSHR (0.55) HPGDTDP1TSHRMAPK1KDM4E
SCHEMBL4977141 0.80 KDM4E (0.49) HPGDTSHRKDM4EALDH1A1HSD17B10
SCHEMBL6647066 0.77 TSHR (0.48) HPGDTSHRMAPK1ALDH1A1KEAP1
SCHEMBL6648010 0.77 GAA (0.48) TSHRMAPK1ALDH1A1KEAP1RAB9A
SCHEMBL8096568 0.77 DAO (0.47) TSHRCYP3A4CYP2D6CYP2C19

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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 EP 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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 HPGD 77/4885TDP1 737/4885TSHR 4810/4885

“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.