SCHEMBL25828110

SCHEMBL25828110

CCCCNCCOCCOCCOCCOCCOCCNC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 1/20 0.39
S1PR2 O95136 5/20 0.38
S1PR4 O95977 5/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
S1PR5 Q9H228 1/20 0.38
CYP2C9 P11712 1/20 0.36
RECQL P46063 1/20 0.36
THRB P10828 1/20 0.34

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
SCHEMBL26280264 0.86 TSHR (0.39) TSHRALDH1A1KDM4ESMN1; SMN2EPHX1
SCHEMBL15782518 0.84 TSHR (0.51) TSHRALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL20231880 0.84 TSHR (0.48) TSHRALDH1A1SMN1; SMN2EPHX1CYP3A4
SCHEMBL20231025 0.84 TSHR (0.48) TSHRALDH1A1SMN1; SMN2EPHX1CYP3A4
SCHEMBL20231881 0.84 TSHR (0.48) TSHRALDH1A1SMN1; SMN2EPHX1CYP3A4
SCHEMBL12376897 0.84 TSHR (0.36) TSHRALDH1A1KDM4EEPHX1CYP1A2
SCHEMBL14448265 0.84 TSHR (0.48) TSHRALDH1A1SMN1; SMN2EPHX1CYP3A4
SCHEMBL20231024 0.84 TSHR (0.48) TSHRALDH1A1SMN1; SMN2EPHX1CYP3A4
SCHEMBL801169 0.83 HTR1B (0.36) TSHRKDM4EKMT2AMEN1RECQL
SCHEMBL8979968 0.82 TSHR (0.55) TSHRALDH1A1KDM4ESMN1; SMN2CYP1A2

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-20230219945-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-13 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-20230219945-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TSHR 3319/4885ALDH1A1 2776/4885KDM4E 190/4885

“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.