SCHEMBL3786293

SCHEMBL3786293

NC1(OCc2ccccc2)C=CC(c2ccccc2)=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.35
AGXT P21549 4/20 0.35
TSHR P16473 1/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
DPP4 P27487 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 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
SCHEMBL8422558 0.81 ALDH1A1 (0.33) IDO1AGXTTSHRSLC1A3SLC1A2
SCHEMBL13281319 0.81 TSHR (0.32) IDO1AGXTTSHRCYP1A2CYP2C9
SCHEMBL28451360 0.79 NPC1 (0.31) MAOAMAOB
SCHEMBL31303694 0.78 ALDH1A1 (0.36) TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL6195587 0.78 KDM1A (0.32) MAOAMAOB
SCHEMBL27462402 0.77 NAAA (0.32) TSHRMAOB
SCHEMBL10489545 0.77 ALDH1A1 (0.36) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
Hydrochloric Acid SCHEMBL9649820 0.76 ALDH1A1 (0.36) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL10444911 0.74 MEN1 (0.33) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL21753771 0.74 RAB9A (0.41) MAOAMAOB

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 285/4885TSHR 1688/4885

“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.