SCHEMBL3786291

SCHEMBL3786291

NC1(OCc2ccccc2)C=CC(c2ccccc2)C=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
AGXT P21549 1/20 0.37
MAOA P21397 8/20 0.37
MAOB P27338 8/20 0.37
KDM1A O60341 6/20 0.37
TSHR P16473 1/20 0.36
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 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
SCHEMBL13281317 0.80 TSHR (0.36) IDO1AGXTMAOBTSHRSLC1A3
SCHEMBL8422555 0.80 TSHR (0.36) IDO1AGXTTSHRSLC1A3SLC1A2
SCHEMBL10489544 0.76 FABP7 (0.39) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL8077336 0.75 KDM1A (0.38) MAOAMAOBKDM1A
SCHEMBL10444910 0.72 KMT2A (0.34) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL1074533 0.72 KDM1A (0.40) MAOAMAOBKDM1ACYP1A2CYP2D6
Methane SCHEMBL16507862 0.70 KDM1A (0.39) MAOAMAOBKDM1A
Propane SCHEMBL23045273 0.69 KDM1A (0.43) MAOAMAOBKDM1A
SCHEMBL6496498 0.69 HTR2A (0.42) MAOAMAOBKDM1A
SCHEMBL4794111 0.69 KDM1A (0.38) MAOAMAOBKDM1A

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 IDO1 310/4885AGXT 285/4885MAOA 348/4885

“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.