SCHEMBL3799589

SCHEMBL3799589

C=CC[CH]C1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
GPR3 P46089 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ADRA1A P35348 2/20 0.34
ACHE P22303 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1B P35368 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SLC22A2 O15244 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
SCHEMBL1568290 0.83 GPR3 (0.46) HTR2AGPR3ADRA1AACHEADRA1D
SCHEMBL6902476 0.81 GPR3 (0.44) HTR2AGPR3ADRA1AACHEADRA1D
SCHEMBL28492063 0.80 HTR2A (0.50) HTR2AGPR3ADRA1AACHECHRM2
SCHEMBL6926586 0.76 ACHE (0.44) HTR2AGPR3ADRA1AACHECHRM2
SCHEMBL1306761 0.74 GPR3 (0.38) HTR2AGPR3ADRA1AACHECHRM2
SCHEMBL15956660 0.74 MAOB (0.44) HTR2AGPR3ADRA1AACHECHRM2
SCHEMBL2781988 0.73 HTR1A (0.42) HTR2AGPR3ADRA1AACHEADRA1D
SCHEMBL252162 0.73 HTR2A (0.52) HTR2AGPR3ADRA1AACHEADRA1D
SCHEMBL6421466 0.72 GPR3 (0.44) HTR2AGPR3ADRA1AACHECHRM2
SCHEMBL8715945 0.71 ACHE (0.49) HTR2AGPR3ADRA1AACHECHRM2

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-9017726-B2 Biodegradable and thermosensitive poly(organophosphazene)-superparamagnetic nanoparticle complex, preparation method and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-04-28 US disclosed
US-20140031289-A1 POLY(ORGANOPHOSPHAZENE) CONTAINING DEGRADATION CONTROLLABLE IONIC GROUP, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-01-30 US disclosed
US-8287888-B2 Thermosensitive polyphosphazene-bioactive molecule conjugates, preparation method thereof and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-16 US disclosed
US-20120121517-A1 BIODEGRADABLE AND THERMOSENSITIVE POLY(ORGANOPHOSPHAZENE)-SUPERPARAMAGNETIC NANOPARTICLE COMPLEX, PREPARATION METHOD AND USE THEREOF Korean Institute of Science and Technology of Seoul, Republic of Korea 2012-05-17 US disclosed
US-20090181088-A1 THERMOSENSITIVE POLYPHOSPHAZENE-BIOACTIVE MOLECULE CONJUGATES, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-07-16 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 (3 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-20120121517-A1 BIODEGRADABLE AND THERMOSENSITIVE POLY(ORGANOPHOSPHAZENE)-SUPERPARAMAGNETIC NANOPARTICLE COMPLEX, PREPARATION METHOD AND USE THEREOF PHOSPHO1, HSPA2, FEM1B HTR2A 2744/4885GPR3 1730/4885GABRA1 3581/4885
US-20140031289-A1 POLY(ORGANOPHOSPHAZENE) CONTAINING DEGRADATION CONTROLLABLE IONIC GROUP, PREPARATION METHOD THEREOF AND USE THEREOF PHOSPHO1, PLCB3, INPP5D HTR2A 3696/4885GPR3 733/4885GABRA1 2012/4885
US-20090181088-A1 THERMOSENSITIVE POLYPHOSPHAZENE-BIOACTIVE MOLECULE CONJUGATES, PREPARATION METHOD THEREOF AND USE THEREOF PHOSPHO1, PLK1, PLA2G2C HTR2A 3285/4885GPR3 751/4885GABRA1 3597/4885

“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.