SCHEMBL10437484

SCHEMBL10437484

CCCNCCCN(CCC)CCC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PAOX Q6QHF9 2/20 0.41
TDP1 Q9NUW8 1/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SAT1 P21673 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 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
SCHEMBL759060 0.95 TSHR (0.48) TSHRALDH1A1PAOXTDP1CYP2C19
SCHEMBL11235151 0.93 TSHR (0.48) TSHRALDH1A1PAOXCYP2C19MEN1
SCHEMBL14943785 0.90 TSHR (0.50) TSHRALDH1A1PAOXTDP1CYP2C19
SCHEMBL19519700 0.90 TSHR (0.43) TSHRALDH1A1PAOXTDP1CYP2C19
SCHEMBL10696811 0.89 TSHR (0.38) TSHRALDH1A1PAOXCYP2C19MEN1
SCHEMBL757198 0.87 TSHR (0.52) TSHRALDH1A1PAOXCYP2C19MEN1
SCHEMBL11461216 0.86 PAOX (0.43) TSHRALDH1A1PAOXTDP1CYP2C19
SCHEMBL29286404 0.86 TSHR (0.59) TSHRALDH1A1PAOXCYP2C19CYP1A2
SCHEMBL755010 0.85 TSHR (0.50) TSHRALDH1A1PAOXCYP2C19MEN1
SCHEMBL6657028 0.85 TSHR (0.50) TSHRALDH1A1PAOXCYP2C19MEN1

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-20230144292-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-11 US disclosed
EP-0398478-A1 Temperature release containers STUART SHELDON BOWIE (US) 1990-11-22 EP disclosed
US-4134838-A Fabric conditioning product LEVER BROTHERS COMPANY (US) 1979-01-16 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-20230144292-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TSHR 3319/4885ALDH1A1 2776/4885PAOX 1862/4885

“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.