SCHEMBL87287

SCHEMBL87287

C=CCC1(CC=C)COc2ccc(Cl)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
CYP19A1 P11511 1/20 0.37
MGAT2 Q10469 1/20 0.34
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
NOTUM Q6P988 1/20 0.33
ADRA2A P08913 1/20 0.33
PPOX P50336 1/20 0.33
BCHE P06276 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
S100A4 P26447 1/20 0.32
PGR P06401 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL3259535 0.80 NPSR1 (0.40) MAOBCYP19A1TDP1HTTCYP3A4
SCHEMBL9135853 0.73 MAOB (0.42) MAOBCYP19A1MGAT2MAPTTDP1
SCHEMBL18533293 0.70 AHR (0.32) MAPTCYP1A2CYP3A4
SCHEMBL3018455 0.69 PGR (0.44) MAOBCYP19A1MAPTTDP1ADRA2A
SCHEMBL9390887 0.68 MGAT2 (0.42) MAOBCYP19A1MGAT2MAPTTDP1
SCHEMBL6156641 0.65 BACE1 (0.41) MAPTHTT
SCHEMBL577222 0.64
SCHEMBL6826536 0.64 AR (0.51) MAOBCYP19A1MAPTTDP1BCHE
SCHEMBL15537318 0.64 APP (0.40) CYP19A1MAPTS100A4
SCHEMBL6966149 0.63 MAOB (0.55) MAOBCYP19A1MAPTNOTUMSMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053095-B2 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2017-02-22 EP disclosed
EP-2053095-B1 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2014-03-26 EP disclosed
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
EP-2053095-A2 Ink composition and inkjet recording method using the same Fujifilm Corporation (JP) 2009-04-29 EP disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 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-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME RB1, IK, NOX1 MAOB 202/4885CYP19A1 970/4885MGAT2 3476/4885

“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.