SCHEMBL17211684

SCHEMBL17211684

Cc1ccc(-c2ccc(C(=O)O)c(=O)n2CC(=O)O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 7/20 0.45
HSD17B10 Q99714 5/20 0.45
POLB P06746 4/20 0.45
HPGD P15428 4/20 0.45
APEX1 P27695 3/20 0.45
ALOX15 P16050 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
ALOX12 P18054 1/20 0.45
KMT2A Q03164 1/20 0.45
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40

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
SCHEMBL19867394 0.80 HSD17B10 (0.41) ALDH1A1HSD17B10POLBHPGDAPEX1
SCHEMBL17211677 0.77 POLB (0.41) ALDH1A1HSD17B10POLBHPGDAPEX1
SCHEMBL17211674 0.76 BACE1 (0.51) MCL1ALDH1A1HSD17B10POLBHPGD
SCHEMBL7337363 0.75 HAAO (0.49) ALDH1A1POLBAPEX1L3MBTL1MEN1
SCHEMBL1709743 0.69 MCL1 (0.73) MCL1ALDH1A1KMT2AKDM4ERXRB
SCHEMBL17211683 0.68 KDM4E (0.56) ALDH1A1HSD17B10POLBHPGDALOX15
SCHEMBL17213435 0.68 BACE1 (0.50) MCL1ALDH1A1HSD17B10POLBHPGD
SCHEMBL16295898 0.65 MCL1 (0.62) MCL1ALDH1A1SMN1; SMN2RXRBRXRA
SCHEMBL31547604 0.65 MCL1 (0.62) MCL1ALDH1A1RXRBRXRAALPL
SCHEMBL14994362 0.65 MCL1 (0.62) MCL1ALDH1A1RXRBRXRAALPL

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 MCL1 393/4885ALDH1A1 4764/4885HSD17B10 3162/4885

“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.