SCHEMBL11114399

SCHEMBL11114399

CCCCNC(C)CCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
SLC2A1 P11166 1/20 0.34
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ADRB2 P07550 8/20 0.33
SIGMAR1 Q99720 1/20 0.33
OPRM1 P35372 1/20 0.32
PLA2G10 O15496 1/20 0.32

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
Hydrochloric Acid SCHEMBL11131762 0.98 SLC2A1 (0.37) TSHRSLC2A1MEN1CYP2C19KMT2A
SCHEMBL17887519 0.88 LMNA (0.39) TSHRMEN1KMT2AADH1BADH1C
SCHEMBL7775148 0.87 TSHR (0.39) TSHRADH1BADH1CADH1AADH4
SCHEMBL23967590 0.86 LMNA (0.35) SIGMAR1
SCHEMBL25971264 0.85 SIGMAR1 (0.42) SIGMAR1
Hydrochloric Acid SCHEMBL22575458 0.85 TSHR (0.38) TSHRSLC2A1ADH1BADH1CADH1A
SCHEMBL24337442 0.85 ADRB2 (0.42) TSHRADH1BADH1CADH1AADH4
SCHEMBL28726709 0.85 ADRB2 (0.42) TSHRADH1BADH1CADH1AADH4
SCHEMBL19285956 0.84 LMNA (0.39) SLC2A1ADH1BADH1CADH1AADH4
SCHEMBL25492666 0.83 TSHR (0.43) TSHRADH1BADH1CADH1AADH4

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-20230219945-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-13 US disclosed
US-11028240-B2 Composite materials with desired characteristics NANOCORE APS (DK) 2021-06-08 US disclosed
EP-0125093-A1 Diaz(ep)ine bis(N-amidinoamidine) derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-14 EP 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 3319/4885SLC2A1 4830/4885MEN1 4055/4885

“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.