SCHEMBL17211674

SCHEMBL17211674

CCOc1ccc(-c2ccc(C(=O)O)c(=O)n2CC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.51
TP53 P04637 1/20 0.47
MAPT P10636 2/20 0.46
BCL2 P10415 2/20 0.44
MDM2 Q00987 2/20 0.44
MCL1 Q07820 2/20 0.44
ALDH1A1 P00352 9/20 0.43
HSD17B10 Q99714 7/20 0.43
HPGD P15428 5/20 0.43
POLB P06746 4/20 0.43
ALOX15 P16050 4/20 0.43
APEX1 P27695 3/20 0.43
MEN1 O00255 2/20 0.43
ALOX12 P18054 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 7/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.42

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
SCHEMBL17213435 0.91 BACE1 (0.50) BACE1TP53MAPTBCL2MDM2
SCHEMBL17211683 0.77 KDM4E (0.56) MAPTALDH1A1HSD17B10HPGDPOLB
SCHEMBL17211684 0.76 MCL1 (0.46) TP53MCL1ALDH1A1HSD17B10HPGD
SCHEMBL16703684 0.70 CMA1 (0.61) TP53MAPTALDH1A1HPGDMEN1
SCHEMBL19867215 0.70 ALDH1A1 (0.48) BACE1MAPTALDH1A1HSD17B10HPGD
SCHEMBL7337363 0.70 HAAO (0.49) MAPTALDH1A1POLBAPEX1MEN1
SCHEMBL17213444 0.68 MAPT (0.55) TP53MAPTALDH1A1HSD17B10HPGD
SCHEMBL4483861 0.68 BACE1 (0.61) BACE1MAPTALDH1A1HSD17B10HPGD
SCHEMBL17211677 0.68 POLB (0.41) MAPTALDH1A1HSD17B10HPGDPOLB
SCHEMBL4988323 0.66 NPC1 (0.59) TP53ALDH1A1HPGDMEN1KMT2A

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-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

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 BACE1 2154/4885TP53 2116/4885MAPT 3576/4885

“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.