SCHEMBL23728133

SCHEMBL23728133

COc1cc(C=CC(=O)N2CCCCC2)cc2c1OCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.65
ALDH1A1 P00352 6/20 0.65
HPGD P15428 6/20 0.65
TRPV1 Q8NER1 3/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
MAOB P27338 5/20 0.60
KMT2A Q03164 2/20 0.60
MAOA P21397 4/20 0.56
BCHE P06276 3/20 0.56
ACHE P22303 3/20 0.56
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP3A4 P08684 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
MEN1 O00255 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL23728132 1.00 KDM4E (0.65) KDM4EALDH1A1HPGDTRPV1NPC1
SCHEMBL7309566 0.82 KDM4E (0.80) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL7309562 0.82 KDM4E (0.80) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL27183471 0.81 ALDH1A1 (0.97) KDM4EALDH1A1HPGDTRPV1NPC1
Cinoctramide SCHEMBL2111109 0.81 ALDH1A1 (0.97) KDM4EALDH1A1HPGDTRPV1NPC1
SCHEMBL28945273 0.81 HPGD (0.61) KDM4EALDH1A1HPGDTRPV1NPC1
SCHEMBL28945275 0.81 HPGD (0.61) KDM4EALDH1A1HPGDTRPV1NPC1
SCHEMBL15681754 0.80 NPC1 (0.61) KDM4EALDH1A1HPGDTRPV1NPC1
SCHEMBL15884182 0.79 ALDH1A1 (0.78) KDM4EALDH1A1HPGDTRPV1MAOB
Pyrrolidine SCHEMBL22397855 0.79 KDM4E (0.70) KDM4EALDH1A1HPGDNPC1RAB9A

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
EP-4100034-A1 COMPOSITIONS COMPRISING EXTRACTS OF APLINIA AND OTHER PLANTS FOR IMPROVING JOINT HEALTH AND TREATING ARTHRITIS Unigen, Inc. (US) 2022-12-14 EP disclosed
US-20220000964-A1 Compositions and Methods for Regulating Homeostasis of Chondrocytes, Extracellular Matrix, Articular Cartilage, and Phenotype of Arthritis UNIGEN, INC. (US) 2022-01-06 US disclosed
WO-2021159042-A1 COMPOSITIONS COMPRISING EXTRACTS OF APLINIA AND OTHER PLANTS FOR IMPROVING JOINT HEALTH AND TREATING ARTHRITIS UNIGEN, INC. (US) 2021-08-12 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-20220000964-A1 Compositions and Methods for Regulating Homeostasis of Chondrocytes, Extracellular Matrix, Articular Cartilage, and Phenotype of Arthritis COL2A1, COL1A1, CKAP4 KDM4E 726/4885ALDH1A1 1095/4885HPGD 1993/4885

“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.