SCHEMBL25885486

SCHEMBL25885486

C=C(NCCNCCCCCC)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
S1PR2 O95136 5/20 0.42
S1PR4 O95977 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
S1PR5 Q9H228 1/20 0.42
EPHX1 P07099 8/20 0.41
MMP8 P22894 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36

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
SCHEMBL19057654 0.88 EPHX1 (0.50) EPHX1MMP8ZDHHC20ZDHHC2
SCHEMBL25881306 0.88 EPHX1 (0.50) EPHX1MMP8ZDHHC20ZDHHC2
SCHEMBL22861925 0.88 EPHX1 (0.50) EPHX1MMP8ZDHHC20ZDHHC2
SCHEMBL25697792 0.88 EPHX1 (0.50) EPHX1MMP8ZDHHC20ZDHHC2
SCHEMBL20322090 0.86 EPHX1 (0.47) ALDH1A1TSHREPHX1MMP8ZDHHC20
SCHEMBL19200596 0.80 EPHX1 (0.41) TSHREPHX1ZDHHC20ZDHHC2
SCHEMBL9290204 0.75
SCHEMBL25435977 0.74 TSHR (0.87) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL868091 0.74 TSHR (0.87) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL11519282 0.74 TSHR (0.87) ALDH1A1TSHRS1PR2S1PR4S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11707457-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-07-25 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-11707457-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885TSHR 3319/4885S1PR2 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.