SCHEMBL17211755

SCHEMBL17211755

O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1CCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 1/20 1.00
ALDH1A1 P00352 12/20 0.79
KDM4E B2RXH2 11/20 0.79
HSD17B10 Q99714 11/20 0.79
POLB P06746 7/20 0.79
L3MBTL1 Q9Y468 4/20 0.79
RECQL P46063 2/20 0.79
GAA P10253 2/20 0.79
CASP6 P55212 1/20 0.79
HPGD P15428 5/20 0.74
CYP2C9 P11712 2/20 0.74
ALOX15 P16050 5/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
USP2 O75604 3/20 0.64
MAPT P10636 3/20 0.64
TSHR P16473 2/20 0.64
MAPK1 P28482 1/20 0.61
ALOX12 P18054 2/20 0.59
LMNA P02545 1/20 0.59

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
SCHEMBL17211717 0.92 CNKSR1 (0.85) CNKSR1ALDH1A1KDM4EHSD17B10POLB
SCHEMBL19270610 0.85 ALDH1A1 (0.79) CNKSR1ALDH1A1KDM4EHSD17B10POLB
SCHEMBL14285635 0.85 ALDH1A1 (1.00) CNKSR1ALDH1A1KDM4EHSD17B10POLB
SCHEMBL14865018 0.82 KDM4E (0.85) CNKSR1ALDH1A1KDM4EHSD17B10POLB
SCHEMBL17211702 0.78 ALDH1A1 (0.85) CNKSR1ALDH1A1KDM4EHSD17B10POLB
SCHEMBL9763051 0.78 ALDH1A1 (0.76) CNKSR1ALDH1A1KDM4EHSD17B10POLB
SCHEMBL1903643 0.75 MEN1 (1.00) CNKSR1ALDH1A1KDM4EHSD17B10POLB
SCHEMBL20248201 0.74 ALDH1A1 (0.62) CNKSR1ALDH1A1KDM4EHSD17B10POLB
SCHEMBL20248187 0.74 ALDH1A1 (0.85) CNKSR1ALDH1A1KDM4EHSD17B10POLB
SCHEMBL20250918 0.74 ALDH1A1 (0.78) CNKSR1ALDH1A1KDM4EHSD17B10POLB

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
EP-2931280-B1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS INC (US) 2018-02-14 EP disclosed
US-9340532-B2 Methods and compositions for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-05-17 US disclosed
US-9340532-B2 Methods and compositions for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-05-17 US disclosed
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2015-10-29 US disclosed
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2015-10-29 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 (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-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CAMKK2 CNKSR1 1/4885ALDH1A1 4764/4885KDM4E 770/4885

“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.