SCHEMBL17123136

SCHEMBL17123136

CC(C)CCC(=O)NCCOCCC(=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 1/20 0.35
TSHR P16473 1/20 0.35
GLP1R P43220 8/20 0.34
CA1 P00915 3/20 0.33
CA12 O43570 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL27312181 0.98 MEN1 (0.45) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL27312098 0.98 MEN1 (0.45) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL25128191 0.98 MEN1 (0.45) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL27312182 0.98 MEN1 (0.45) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL25533100 0.91 HPGD (0.45) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL24700121 0.91 HPGD (0.45) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL26412077 0.90 MEN1 (0.47) ALDH1A1MEN1KMT2AHPGDCNR1
SCHEMBL23386933 0.88 MEN1 (0.50) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL25812337 0.88 MEN1 (0.46) ALDH1A1MEN1KMT2AHPGDCNR1
SCHEMBL13616087 0.88 MEN1 (0.53) ALDH1A1MEN1KMT2AHPGDLMNA

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-11510994-B2 Linkers for improving the stability of bioconjugates and the selectivity of payload release EqIP, LLC (US) 2022-11-29 US disclosed
US-9745303-B2 Synthesis and intermediates of pyrrolobenzodiazepine derivatives for conjugation MEDIMMUNE LIMITED (GB) 2017-08-29 US disclosed
US-20150274737-A1 SYNTHESIS AND INTERMEDIATES OF PYRROLOBENZODIAZEPINE DERIVATIVES FOR CONJUGATION MEDIMMUNE LIMITED (GB) 2015-10-01 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-11510994-B2 Linkers for improving the stability of bioconjugates and the selectivity of payload release CTSA, CTSS, CTSV ALDH1A1 3509/4885MEN1 3517/4885KMT2A 3207/4885
US-20150274737-A1 SYNTHESIS AND INTERMEDIATES OF PYRROLOBENZODIAZEPINE DERIVATIVES FOR CONJUGATION CYP2C19, GABRE, CYP3A7 ALDH1A1 927/4885MEN1 1943/4885KMT2A 1347/4885

“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.