SCHEMBL318324

SCHEMBL318324

CCCCCCCCCCCCCCCCCCCCCCOc1cc(OCCCCCCCCCCCCCCCCCCCCCC)cc(C(Cl)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.49
LTA4H P09960 2/20 0.49
CNR1 P21554 2/20 0.47
MLNR O43193 1/20 0.47
NR1I2 O75469 1/20 0.47
ESR1 P03372 1/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
ADRB2 P07550 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM3 P20309 1/20 0.47
MAOA P21397 1/20 0.47

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
SCHEMBL9304906 0.88 LTA4H (0.60) LTA4HCNR1MLNRNR1I2ESR1
SCHEMBL18302044 0.88 LTA4H (0.60) LTA4HCNR1MLNRNR1I2ESR1
SCHEMBL539283 0.87 PLA2G2A (0.44) PLA2G2ALTA4HCNR1MAPK1SMN1; SMN2
SCHEMBL15470861 0.79 MEN1 (0.39) PLA2G2ACNR1ESR1DRD2DRD3
SCHEMBL9016884 0.76 PLA2G2A (0.68) PLA2G2ALTA4HCNR1MLNRNR1I2
SCHEMBL18886699 0.76 PLA2G2A (0.68) PLA2G2ALTA4HCNR1MLNRNR1I2
SCHEMBL17247317 0.74 LTA4H (0.64) LTA4HCNR1MLNRNR1I2ESR1
SCHEMBL17241274 0.74 LTA4H (0.64) LTA4HCNR1MLNRNR1I2ESR1
SCHEMBL17241411 0.74 LTA4H (0.64) LTA4HCNR1MLNRNR1I2ESR1
SCHEMBL25205847 0.74 LTA4H (0.81) LTA4HCNR1MLNRNR1I2ESR1

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
US-8293948-B2 Reagent for organic synthesis and method of organic synthesis reaction with the reagent JITSUBO CO., LTD. (JP) 2012-10-23 US disclosed
US-20120108788-A1 REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT JITSUBO CO., LTD. (JP) 2012-05-03 US disclosed
US-8093435-B2 Reagent for organic synthesis and method of organic synthesis reaction with the reagent JITSUBO CO., LTD. (JP) 2012-01-10 US disclosed
US-20090299103-A1 Reagent for Organic Synthesis and Method of Organic Synthesis Reaction with the Reagent NATIONAL UNIVERSITY CORPORATION, TOKYO UNIVERSITY (JP) 2009-12-03 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 (2 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-20090299103-A1 Reagent for Organic Synthesis and Method of Organic Synthesis Reaction with the Reagent COASY, OSTC, OGA PLA2G2A 4670/4885LTA4H 399/4885CNR1 3759/4885
US-20120108788-A1 REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT COASY, OSTC, OGA PLA2G2A 4670/4885LTA4H 399/4885CNR1 3759/4885

“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.