SCHEMBL29937337

SCHEMBL29937337

CCOC(=O)C1CCC(Nc2ccc(COC3CCCCO3)cc2[N+](=O)[O-])CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
HCAR3 P49019 4/20 0.43
HPGD P15428 1/20 0.42
WNK1 Q9H4A3 2/20 0.40
MAPK1 P28482 1/20 0.40
CREBBP Q92793 1/20 0.39
KMT2A Q03164 2/20 0.38
VCAM1 P19320 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MEN1 O00255 1/20 0.38
GPR55 Q9Y2T6 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
SCHEMBL29313601 1.00 MAPT (0.45) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL20985428 0.88 HCAR3 (0.49) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL20985427 0.88 HCAR3 (0.49) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL21025634 0.87 ALOX15 (0.48) ALDH1A1SMN1; SMN2POLBHPGDCREBBP
SCHEMBL21025909 0.87 ALOX15 (0.48) ALDH1A1SMN1; SMN2POLBHPGDCREBBP
SCHEMBL29937897 0.87 ALOX15 (0.48) ALDH1A1SMN1; SMN2POLBHPGDCREBBP
SCHEMBL29313717 0.79 ALDH1A1 (0.49) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL21025998 0.79 ALDH1A1 (0.49) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL1925316 0.77 HCAR3 (0.52) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL1925313 0.77 HCAR3 (0.52) MAPTALDH1A1LMNASMN1; SMN2POLB

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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-20220331297-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2022-10-20 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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 MAPT 1544/4885ALDH1A1 2211/4885LMNA 2696/4885
US-20220331297-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 MAPT 1386/4885ALDH1A1 2896/4885LMNA 2783/4885

“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.