SCHEMBL4888919

SCHEMBL4888919

CCC(=O)Nc1cccc([C]=O)c1O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
PARP14 Q460N5 1/20 0.44
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.42
CXCR2 P25025 1/20 0.42
POLB P06746 1/20 0.41
NR4A1 P22736 1/20 0.41
GAA P10253 3/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GPR35 Q9HC97 1/20 0.40
IKBKB O14920 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 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
SCHEMBL4883127 0.85 TSHR (0.62) ALDH1A1TSHRPOLBGAAHTT
SCHEMBL4092413 0.85 TSHR (0.53) HPGDMAPTPARP14ALDH1A1RAB9A
SCHEMBL4888916 0.83 SMN1; SMN2 (0.49) HPGDMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL4880034 0.81 ALDH1A1 (0.47) HPGDMAPTPARP14ALDH1A1RAB9A
SCHEMBL4882527 0.80 ALDH1A1 (0.55) HPGDMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL4879184 0.79 KDM4E (0.51) HPGDALDH1A1RAB9ATSHRNPC1
SCHEMBL4883349 0.79 CXCR2 (0.43) HPGDMAPTALDH1A1SMN1; SMN2CXCR2
SCHEMBL4889784 0.78 HPGD (0.47) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4889765 0.77 CETP (0.49) MAPTRAB9ATSHRCXCR2POLB
SCHEMBL12535510 0.77 MEN1 (0.54) HPGDMAPTPARP14ALDH1A1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275112-A1 Invention Concerning Aminoadamantane Compounds SCHREINER PETER R 2008-11-06 US claimed
EP-1789380-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF Justus-Liebig-Universität Giessen (DE) 2007-05-30 EP claimed
WO-2006010362-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2006-02-02 WO claimed
US-20080275112-A1 Invention Concerning Aminoadamantane Compounds SCHREINER PETER R 2008-11-06 US disclosed
EP-1789380-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF Justus-Liebig-Universität Giessen (DE) 2007-05-30 EP disclosed
WO-2006010362-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2006-02-02 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-20080275112-A1 Invention Concerning Aminoadamantane Compounds GABRA5, GABRA1, GABRA4 HPGD 2622/4885MAPT 1393/4885PARP14 3292/4885

“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.