SCHEMBL3473786

SCHEMBL3473786

COc1ccc(Oc2cc(C)c(Br)c(C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ACHE P22303 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
PARP10 Q53GL7 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.40
TUBB1 Q9H4B7 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MAPT P10636 2/20 0.39

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
SCHEMBL701066 0.82 ALDH1A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL6438319 0.78 LTA4H (0.54) LTA4HCA12CA1CA2CA7
SCHEMBL6182907 0.78 SMN1; SMN2 (0.52) LTA4HCA12CA1CA2CA7
SCHEMBL166536 0.76 CA1 (0.79) LTA4HCA12CA1CA2CA7
SCHEMBL11580995 0.76 CA1 (0.79) LTA4HCA12CA1CA2CA7
SCHEMBL83811 0.76 CA1 (0.79) LTA4HCA12CA1CA2CA7
SCHEMBL5343776 0.76 ALDH1A1 (0.68) LTA4HCA12CA1CA2CA7
SCHEMBL5837204 0.75 LTA4H (0.61) LTA4HCA12CA1CA2CA7
SCHEMBL3474051 0.75 POLB (0.46) LTA4HCA12CA1CA2CA7
Phosphine SCHEMBL22689591 0.74 LTA4H (0.74) LTA4HCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420235-B2 Emissive diaryl acetylenes NITTO DENKO CORPORATION (JP) 2013-04-16 US disclosed
US-8420235-B2 Emissive diaryl acetylenes NITTO DENKO CORPORATION (JP) 2013-04-16 US disclosed
US-8420235-B2 Emissive diaryl acetylenes NITTO DENKO CORPORATION (JP) 2013-04-16 US disclosed
US-8323805-B2 Emissive aryl-heteroaryl acetylenes NITTO DENKO CORPORATION (JP) 2012-12-04 US disclosed
US-8323805-B2 Emissive aryl-heteroaryl acetylenes NITTO DENKO CORPORATION (JP) 2012-12-04 US disclosed
US-8323805-B2 Emissive aryl-heteroaryl acetylenes NITTO DENKO CORPORATION (JP) 2012-12-04 US disclosed
US-20100308310-A1 EMISSIVE ARYL-HETEROARYL ACETYLENES Nitto Denko Corporaton (JP) 2010-12-09 US disclosed
US-20100308310-A1 EMISSIVE ARYL-HETEROARYL ACETYLENES Nitto Denko Corporaton (JP) 2010-12-09 US disclosed
US-20100308310-A1 EMISSIVE ARYL-HETEROARYL ACETYLENES Nitto Denko Corporaton (JP) 2010-12-09 US disclosed
WO-2010141758-A1 EMISSIVE ARYL-HETEROARYL ACETYLENES NITTO DENKO CORPORATION (JP) 2010-12-09 WO disclosed
WO-2010141758-A1 EMISSIVE ARYL-HETEROARYL ACETYLENES NITTO DENKO CORPORATION (JP) 2010-12-09 WO disclosed
US-20100308716-A1 EMISSIVE DIARYL ACETYLENES NITTO DENKO CORPORATION (JP) 2010-12-09 US disclosed
US-20100308716-A1 EMISSIVE DIARYL ACETYLENES NITTO DENKO CORPORATION (JP) 2010-12-09 US disclosed
US-20100308716-A1 EMISSIVE DIARYL ACETYLENES NITTO DENKO CORPORATION (JP) 2010-12-09 US disclosed
WO-2010141754-A1 EMISSIVE DIARYL ACETYLENES NITTO DENKO CORPORATION (JP) 2010-12-09 WO disclosed
WO-2010141754-A1 EMISSIVE DIARYL ACETYLENES NITTO DENKO CORPORATION (JP) 2010-12-09 WO 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 (2 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-20100308310-A1 EMISSIVE ARYL-HETEROARYL ACETYLENES NAT1, AADAC, CORO1C LTA4H 734/4885CA12 3444/4885CA1 4133/4885
US-20100308716-A1 EMISSIVE DIARYL ACETYLENES B3GNT2, GSTO1, NAT1 LTA4H 255/4885CA12 978/4885CA1 1463/4885

“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.