SCHEMBL5736042

SCHEMBL5736042

CC1(C(=O)O)CC=C(c2ccccc2)O1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
DRD2 P14416 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 3/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NQO2 P16083 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
RAB9A P51151 1/20 0.33
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3971345 0.83 HPGD (0.43) KDM4EALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL27607614 0.76 MAPT (0.35) LMNAKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL3166465 0.72 PTGS1 (0.37) LMNATSHRPTGS2
SCHEMBL9147377 0.66 AKR1B1 (0.32) ALDH1A1MAPTMAPK1RAB9A
SCHEMBL3903122 0.64 CA1 (0.53) KDM4EMAPTPOLB
Naphthalene SCHEMBL31244560 0.64 HCAR2 (0.37) LMNAKDM4ETSHRMAPTMAPK1
SCHEMBL24802650 0.63 NPC1 (0.40) LMNAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL1986826 0.63 ALOX15 (0.44) LMNAKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL3520901 0.63 POLB (0.47) LMNATSHRSMN1; SMN2MAPTTP53
Hydrochloric Acid SCHEMBL10335958 0.62 ALOX15 (0.43) LMNAKDM4EALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1251128-B1 Cyclohexylamine derivatives as subtype selective N-methyl-D-aspartate antagonists WARNER LAMBERT CO (US) 2006-12-06 EP disclosed
US-6828341-B2 Brain disorders; anticonvulsants; central nervous system disorders; psychological disorders WARNER-LAMBERT COMPANY 2004-12-07 US disclosed
US-20030004212-A1 Cyclohexylamine derivatives as subtype selective N-Methyl-D-Aspartate antagonists DEORAZIO RUSSELL JOSEPH (US) 2003-01-02 US disclosed
EP-1251128-A1 Cyclohexylamine derivatives as subtype selective N-methyl-D-aspartate antagonists WARNER-LAMBERT COMPANY (US) 2002-10-23 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-20030004212-A1 Cyclohexylamine derivatives as subtype selective N-Methyl-D-Aspartate antagonists GLRB, GRIN1, GRIN2B LMNA 3322/4885KDM4E 1341/4885ALDH1A1 1057/4885

“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.