SCHEMBL25708221

SCHEMBL25708221

CCCCCCCCC(CC)CNC1CCCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
EPHX1 P07099 9/20 0.40
EPHX2 P34913 2/20 0.40
LMNA P02545 1/20 0.37
GNAI3 P08754 2/20 0.37
GNAO1 P09471 2/20 0.37
GNAI1 P63096 2/20 0.37
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 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
SCHEMBL7611083 0.98 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRKDM4ESIGMAR1
SCHEMBL2861071 0.93 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRKDM4ESIGMAR1
SCHEMBL22236675 0.93 KDM4E (0.46) KDM4ESIGMAR1EPHX1EPHX2LMNA
SCHEMBL20794221 0.88 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRKDM4ESIGMAR1
SCHEMBL11592853 0.87 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRKDM4ESIGMAR1
SCHEMBL11057062 0.86 KDM4E (0.48) ALDH1A1CYP3A4TSHRKDM4EEPHX1
SCHEMBL15203118 0.84 ALDH1A1 (0.57) ALDH1A1CYP3A4TSHRKDM4EGNAI3
SCHEMBL7608632 0.83 KDM4E (0.46) ALDH1A1CYP3A4TSHRKDM4ESIGMAR1
SCHEMBL5138440 0.82 GNAI3 (0.54) ALDH1A1CYP3A4TSHRSIGMAR1EPHX1
SCHEMBL11052987 0.82 KDM4E (0.56) ALDH1A1TSHRKDM4EEPHX1LMNA

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-20230190940-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-06-22 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-20230190940-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885CYP3A4 2542/4885TSHR 3319/4885

“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.