SCHEMBL21738499

SCHEMBL21738499

CCCN(CCC)C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34
ADRB2 P07550 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2B P18089 1/20 0.33
OPRD1 P41143 1/20 0.33
SCN5A Q14524 1/20 0.33
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL21738502 1.00 ALDH1A1 (0.50) ALDH1A1HPGDCA2CA12CA9
SCHEMBL21738496 1.00 ALDH1A1 (0.50) ALDH1A1HPGDCA2CA12CA9
SCHEMBL1373468 0.88 ALDH1A1 (0.53) ALDH1A1HPGDCA2CA12CA9
SCHEMBL1373081 0.88 ALDH1A1 (0.57) ALDH1A1HPGDCA2CA12CA9
SCHEMBL25715103 0.86 KDM5A (0.39) ALDH1A1HPGDCA2CA12CA9
SCHEMBL1376896 0.86 ALDH1A1 (0.55) ALDH1A1HPGDCA2CA12CA9
SCHEMBL26078816 0.85 ALDH1A1 (0.47) ALDH1A1HPGDCA2CA12CA9
SCHEMBL1376984 0.85 ALDH1A1 (0.50) ALDH1A1HPGDCA2CA12CA9
SCHEMBL16355256 0.83 ALDH1A1 (0.40) ALDH1A1HPGDCA2TSHRPOLB
SCHEMBL1373604 0.83 ALDH1A1 (0.48) ALDH1A1HPGDTSHRLMNACYP3A4

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-11007275-B2 Cryptophycin antibody conjugates for the treatment of cancer SANOFI (FR) 2021-05-18 US disclosed
US-20200054760-A1 NOVEL PEPTIDIC LINKERS AND CRYPTOPHYCIN CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS RECHERCHE & DEVELOPPEMENT (FR) 2020-02-20 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-11007275-B2 Cryptophycin antibody conjugates for the treatment of cancer XPOT, CHMP4B, XPO5 ALDH1A1 2273/4885HPGD 3640/4885CA2 1184/4885
US-20200054760-A1 NOVEL PEPTIDIC LINKERS AND CRYPTOPHYCIN CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE CLSPN, RPN1, MRPL37 ALDH1A1 3013/4885HPGD 1494/4885CA2 2460/4885

“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.