SCHEMBL21025964

SCHEMBL21025964

CNC(=O)CCCCCCc1ccc(CCNC(=O)CCOCCCc2ccc(C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.47
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
NCOR2 Q9Y618 1/20 0.45
STS P08842 2/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL22005779 0.93 ALDH1A1 (0.50) RAB9AALDH1A1LMNAMAPTKMT2A
SCHEMBL20234650 0.91 RAB9A (0.46) RAB9AALDH1A1LMNAMAPTKMT2A
SCHEMBL20231682 0.88 POLB (0.47) ALDH1A1LMNAKMT2APOLBHDAC3
SCHEMBL20234645 0.86 POLB (0.57) RAB9AALDH1A1LMNAKMT2APOLB
SCHEMBL20234309 0.86 ALDH1A1 (0.61) RAB9AALDH1A1LMNAMAPTKMT2A
SCHEMBL24787980 0.85 ALDH1A1 (0.62) RAB9AALDH1A1LMNAMAPTKMT2A
SCHEMBL21341644 0.84 ALDH1A1 (0.48) RAB9AALDH1A1LMNAMAPTKMT2A
SCHEMBL21025945 0.84 ALDH1A1 (0.56) RAB9AALDH1A1LMNAMAPTKMT2A
SCHEMBL25834953 0.84 POLB (0.59) RAB9AALDH1A1LMNAMAPTKMT2A
SCHEMBL20372751 0.83 ALDH1A1 (0.53) RAB9AALDH1A1LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2021-07-20 US disclosed
US-11028088-B2 Modulators of BTK proteolysis and methods of use YALE UNIVERSITY (US) 2021-06-08 US disclosed
US-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE UNIV YALE (US) 2020-04-23 US disclosed
US-20190276459-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE YALE UNIVERSITY 2019-09-12 US disclosed
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 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 (5 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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 RAB9A 3342/4885ALDH1A1 2896/4885LMNA 2783/4885
US-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE BTK, CBL, CRBN RAB9A 3451/4885ALDH1A1 4291/4885LMNA 2479/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 RAB9A 3342/4885ALDH1A1 2896/4885LMNA 2783/4885
US-11028088-B2 Modulators of BTK proteolysis and methods of use BTK, CBL, CRBN RAB9A 3451/4885ALDH1A1 4291/4885LMNA 2479/4885
US-20190276459-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE BTK, CBL, CRBN RAB9A 3451/4885ALDH1A1 4291/4885LMNA 2479/4885

“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.