SCHEMBL14224898

SCHEMBL14224898

CC/C=C/C(CCC)OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
GALR3 O60755 1/20 0.33
PDE4D Q08499 4/20 0.32
CHRM1 P11229 2/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
TBXA2R P21731 1/20 0.31
CYP3A4 P08684 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL17633873 0.86 GALR3 (0.42) GALR3PDE4D
SCHEMBL17633875 0.86 GALR3 (0.42) GALR3PDE4D
SCHEMBL7667124 0.84 TSHR (0.36) TSHRGALR3CHRM1TDP1CHRM2
SCHEMBL7667132 0.84 TSHR (0.36) TSHRGALR3CHRM1TDP1CHRM2
SCHEMBL8498032 0.83 LMNA (0.35) PDE4DCHRM1AKR1A1CHRM3HTR2A
SCHEMBL7006751 0.82 TSHR (0.34) TSHRGALR3PDE4DCHRM1AKR1A1
SCHEMBL7006753 0.82 TSHR (0.34) TSHRGALR3PDE4DCHRM1AKR1A1
SCHEMBL500451 0.81 MEN1 (0.46) PDE4DCYP3A4NPSR1
SCHEMBL500452 0.81 MEN1 (0.46) PDE4DCYP3A4NPSR1
SCHEMBL10954863 0.81 TDP1 (0.44) TSHRTDP1CYP3A4

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
US-8946468-B2 Process for producing ester compound having an internal unsaturated bond or cyclic olefin JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-02-03 US disclosed
US-8946468-B2 Process for producing ester compound having an internal unsaturated bond or cyclic olefin JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-02-03 US disclosed
US-20120316360-A1 PROCESS FOR PRODUCING ESTER COMPOUND HAVING a,ß-UNSATURATED BOND OSAKA UNIVERSITY (JP) 2012-12-13 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-20120316360-A1 PROCESS FOR PRODUCING ESTER COMPOUND HAVING a,ß-UNSATURATED BOND COASY, OXER1, ACSL1 TSHR 2945/4885GALR3 4081/4885PDE4D 4370/4885

“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.