SCHEMBL16169591

SCHEMBL16169591

COCCCN1CCC(OC)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
HRH2 P25021 3/20 0.34
HRH1 P35367 3/20 0.34
HRH3 Q9Y5N1 6/20 0.33
SIGMAR1 Q99720 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
LTA4H P09960 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
HTR1A P08908 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL21230439 0.89 GBA1 (0.39) HRH1GRIN1GRIN2BLTA4HALDH1A1
SCHEMBL16065928 0.89 HRH3 (0.40) MEN1HRH3SIGMAR1TLR9TLR8
SCHEMBL13193523 0.89 GBA1 (0.39) HRH1GRIN1GRIN2BLTA4HALDH1A1
SCHEMBL25668002 0.89 GBA1 (0.39) HRH1GRIN1GRIN2BLTA4HALDH1A1
SCHEMBL23158168 0.86 HRH2 (0.33) HRH2HRH1HRH3SIGMAR1GRIN1
SCHEMBL12912029 0.83 GNAI3 (0.42) SIGMAR1HTR1A
SCHEMBL14749186 0.83 GNAI3 (0.42) SIGMAR1HTR1A
SCHEMBL14749169 0.83 GNAI3 (0.42) SIGMAR1HTR1A
SCHEMBL23180450 0.83 HRH3 (0.33) HRH2HRH1HRH3SIGMAR1GRIN1
SCHEMBL23023302 0.83 HRH2 (0.34) HRH2HRH1HRH3SIGMAR1GRIN1

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-9187491-B2 Gambogenic acid derivatives, preparation method and application thereof NINTH PEOPLE'S HOSPITAL, SCHOOL MEDICINE SHANGHAI JIAO TONG UNIVERSITY (CN) 2015-11-17 US disclosed
US-9187491-B2 Gambogenic acid derivatives, preparation method and application thereof NINTH PEOPLE'S HOSPITAL, SCHOOL MEDICINE SHANGHAI JIAO TONG UNIVERSITY (CN) 2015-11-17 US disclosed
EP-2805956-A1 GAMBOGENIC ACID DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF Ninth People's Hospital, School Medicine Shanghai Jiao Tong University (CN) 2014-11-26 EP disclosed
US-20140309418-A1 Gambogenic Acid Derivatives, Preparation Method and Application Thereof NINTH PEOPLE'S HOSPITAL, SCHOOL MEDICINE SHANGHAI JIAO TONG UNIVERSITY (CN) 2014-10-16 US disclosed
US-20140309418-A1 Gambogenic Acid Derivatives, Preparation Method and Application Thereof NINTH PEOPLE'S HOSPITAL, SCHOOL MEDICINE SHANGHAI JIAO TONG UNIVERSITY (CN) 2014-10-16 US 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-20140309418-A1 Gambogenic Acid Derivatives, Preparation Method and Application Thereof GYS2, GYPA, GLS2 MEN1 976/4885HRH2 1939/4885HRH1 3828/4885

“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.