SCHEMBL23945222

SCHEMBL23945222

CCCCCCCCCNCCC(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
ALDH1A1 P00352 1/20 0.62
S1PR2 O95136 5/20 0.45
S1PR4 O95977 5/20 0.45
S1PR1 P21453 5/20 0.45
S1PR3 Q99500 5/20 0.45
S1PR5 Q9H228 1/20 0.45
EPHX1 P07099 4/20 0.44
ADH1B P00325 2/20 0.44
ADH1C P00326 2/20 0.44
ADH1A P07327 2/20 0.44
ADH4 P08319 2/20 0.44
ADH7 P40394 2/20 0.44
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
DNM1 Q05193 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL4672978 1.00 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL21018561 1.00 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL18823950 1.00 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL6237106 1.00 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL5866926 1.00 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL11175228 1.00 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL18681539 0.98 TSHR (0.59) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL3700588 0.98 TSHR (0.65) TSHRALDH1A1S1PR2S1PR4S1PR1
Dipentylamine SCHEMBL7050005 0.98 TSHR (0.65) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL13265655 0.91 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1

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-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 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 (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-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 TSHR 3319/4885ALDH1A1 2776/4885S1PR2 2608/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TSHR 3319/4885ALDH1A1 2776/4885S1PR2 2608/4885

“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.