SCHEMBL7080098

SCHEMBL7080098

N#CCNCN1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.36
USP2 O75604 1/20 0.34
CTSS P25774 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
KEAP1 Q14145 1/20 0.33
CTSK P43235 1/20 0.33
PAOX Q6QHF9 1/20 0.33
RECQL P46063 1/20 0.33
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DUSP3 P51452 1/20 0.32

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
SCHEMBL4392228 0.79 USP2 (0.44) HSD17B10TSHRUSP2SMN1; SMN2ALDH1A1
SCHEMBL20052076 0.76 HTT (0.41) HSD17B10TSHRUSP2SMN1; SMN2ALDH1A1
SCHEMBL10508086 0.70
SCHEMBL64383 0.70
SCHEMBL11537077 0.70 CTSS (0.36) HSD17B10TSHRMAPTCTSSSMN1; SMN2
SCHEMBL10702024 0.69 HTT (0.46) TSHRUSP2SMN1; SMN2ALDH1A1KEAP1
Hydrochloric Acid SCHEMBL10513398 0.69 ALDH1A1 (0.39) HSD17B10TSHRUSP2SMN1; SMN2ALDH1A1
Methane SCHEMBL2772452 0.69 ALDH1A1 (0.43) HSD17B10TSHRUSP2SMN1; SMN2ALDH1A1
SCHEMBL15806389 0.68 KDM4E (0.48) HSD17B10TSHRUSP2SMN1; SMN2ALDH1A1
SCHEMBL65392 0.67 ALDH1A1 (0.68) HSD17B10TSHRMAPTUSP2SMN1; SMN2

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-20030118520-A1 Cleaning composition for dental prostheses CLARIANT GMBH (DE) 2003-06-26 US disclosed
US-20020122775-A1 Cleaning compostion for dental prostheses CLARIANT GMBH 2002-09-05 US disclosed
EP-1203576-A1 Denture cleaning composition Clariant GmbH (DE) 2002-05-08 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 (2 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-20030118520-A1 Cleaning composition for dental prostheses NOXO1, AOX1, AOC1 HSD17B10 1898/4885TSHR 4095/4885MAPT 3271/4885
US-20020122775-A1 Cleaning compostion for dental prostheses NOXO1, AOX1, AOC1 HSD17B10 2107/4885TSHR 3635/4885MAPT 1801/4885

“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.