SCHEMBL515676

SCHEMBL515676

CCC(CC)(c1cc(-c2ccccc2)on1)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
NOTUM Q6P988 1/20 0.44
RAB9A P51151 7/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 2/20 0.41
PTGS2 P35354 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40
FAAH O00519 1/20 0.40
LMNA P02545 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL512797 0.80 KDM4E (0.47) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL9863815 0.76 MAPT (0.37) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL512927 0.75 MEN1 (0.55) ALDH1A1NOTUMRAB9ANPC1SMN1; SMN2
SCHEMBL514358 0.72 NOTUM (0.44) ALDH1A1NOTUMRAB9ANPC1SMN1; SMN2
SCHEMBL513204 0.72 HDAC6 (0.44) ALDH1A1NOTUMRAB9ANPC1SMN1; SMN2
SCHEMBL513805 0.72 KDM4E (0.46) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL9607554 0.72 RAB9A (0.55) ALDH1A1NOTUMRAB9ANPC1SMN1; SMN2
SCHEMBL3771884 0.72 ALDH1A1 (0.56) ALDH1A1NOTUMRAB9ANPC1SMN1; SMN2
SCHEMBL3728511 0.71 PTPN5 (0.41) ALDH1A1SMN1; SMN2MAPTHPGDHIF1A
SCHEMBL513327 0.70 NPC1 (0.47) ALDH1A1NOTUMRAB9ANPC1SMN1; SMN2

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
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US disclosed
US-5041567-A Human and veterianary medicine; veneral diseases respiratory diseases, bovine mastitis BEECHAM GROUP PLC (GB) 1991-08-20 US disclosed
US-4812470-A Antibacterial monic acid derivatives BEECHAM GROUP P.L.C. (GB) 1989-03-14 US disclosed
EP-0087953-B1 ANTIBACTERIAL 1-NORMON-2-YL-HETEROCYCLIC COMPOUNDS BEECHAM GROUP PLC (GB) 1988-04-27 EP disclosed
EP-0087953-A2 Antibacterial 1-normon-2-yl-heterocyclic compounds BEECHAM GROUP PLC (GB) 1983-09-07 EP 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 ALDH1A1 2610/4885NOTUM 3155/4885RAB9A 2058/4885

“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.