SCHEMBL18179569

SCHEMBL18179569

Cc1cc2oc3c(C)c4oc5cc(C)sc5c4c(C)c3c2s1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.32
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 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
SCHEMBL18876184 0.73 PKM (0.32) PKMNPSR1RXFP1
SCHEMBL18876174 0.72 ALDH2 (0.35) PKMNPSR1RXFP1
SCHEMBL18876200 0.71 PKM (0.32) PKMNPSR1RXFP1
SCHEMBL18876177 0.69 PKM (0.32) PKMNPSR1RXFP1
SCHEMBL12889925 0.69
SCHEMBL21166561 0.68 PKM (0.31) PKMNPSR1RXFP1
SCHEMBL18179566 0.67 ALDH1A2 (0.34) MAOA
SCHEMBL18876203 0.67 PKM (0.30) PKMNPSR1RXFP1
SCHEMBL19303384 0.65 PKM (0.32) PKMNPSR1RXFP1
SCHEMBL12413009 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160315272-A1 Organic Transistor, Compound, Organic Semiconductor Material for Non-Light-Emitting Organic Semiconductor Device, Material For Organic Transistor, Coating Solution For Non-Light-Emitting Organic Semiconductor Device, Organic Semiconductor Film For Non-Light-Emitting Organic Semiconductor Device, And Method For Manufacturing Organic Semiconductor Film For Non-Light Emitting Organic Semiconductor Device FUJIFILM CORPORATION (JP) 2016-10-27 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-20160315272-A1 Organic Transistor, Compound, Organic Semiconductor Material for Non-Light-Emitting Organic Semiconductor Device, Material For Organic Transistor, Coating Solution For Non-Light-Emitting Organic Semiconductor Device, Organic Semiconductor Film For Non-Light-Emitting Organic Semiconductor Device, And Method For Manufacturing Organic Semiconductor Film For Non-Light Emitting Organic Semiconductor Device NR1H3, NR1H2, OR10J3 MAOA 1250/4885PKM 3482/4885NPSR1 1417/4885

“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.