SCHEMBL17130342

SCHEMBL17130342

CC[n+]1ccccc1-c1ccco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.39
TSHR P16473 4/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 8/20 0.36
HPGD P15428 8/20 0.36
HSD17B10 Q99714 6/20 0.36
TP53 P04637 4/20 0.36
MAPT P10636 6/20 0.35
RAB9A P51151 6/20 0.35
NPC1 O15118 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 3/20 0.35
BLM P54132 3/20 0.35
ALOX15 P16050 3/20 0.35
CASP1 P29466 3/20 0.35
CASP7 P55210 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
LMNA P02545 3/20 0.35

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
SCHEMBL28308153 0.78 KDM4E (0.42) ALDH1A1GAAKDM4EHPGDTP53
Iodide SCHEMBL17114377 0.73 KDM4E (0.44) ALDH1A1GAAKDM4EHPGDTP53
SCHEMBL25803342 0.71 TDP1 (0.36) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL17130422 0.71 KDM4E (0.41) ALDH1A1TSHRKDM4EHPGDTP53
SCHEMBL23131035 0.69 KDM4E (0.37) ALDH1A1GAAKDM4EHPGDTP53
SCHEMBL29659692 0.68 NPC1 (0.46) ALDH1A1GAAKDM4EHPGDRAB9A
SCHEMBL17130418 0.68 SLC22A2 (0.40) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL18768720 0.68 KDM4E (0.45) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL2862221 0.68 KDM4E (0.45) ALDH1A1KDM4EHPGDHSD17B10TP53
Iodide SCHEMBL4316516 0.66 RAB9A (0.57) ALDH1A1GAAKDM4ETP53MAPT

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-9981957-B2 Synthetic process THE UNIVERSITY OF LIVERPOOL (GB) 2018-05-29 US disclosed
US-20170107208-A1 SYNTHETIC PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2017-04-20 US disclosed
WO-2015145143-A1 SYNTHETIC PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2015-10-01 WO 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-20170107208-A1 SYNTHETIC PROCESS PIR, SRM, SMS ALDH1A1 1225/4885TSHR 2869/4885GAA 3423/4885

“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.