SCHEMBL3475322

SCHEMBL3475322

COCCOCCOc1cc(C)c(Br)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 7/20 0.41
TDP1 Q9NUW8 5/20 0.41
RECQL P46063 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 5/20 0.36
STAT3 P40763 1/20 0.36
NOD2 Q9HC29 1/20 0.36
MAOA P21397 1/20 0.35
DYRK1A Q13627 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL22219086 1.00 ALDH1A1 (0.41) ALDH1A1LMNAKDM4ETDP1RECQL
SCHEMBL8420025 0.94 ALDH1A1 (0.45) ALDH1A1LMNAKDM4ETDP1HPGD
SCHEMBL16515501 0.85 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EHPGDL3MBTL1
SCHEMBL3631558 0.83 ALDH1A1 (0.46) ALDH1A1LMNAKDM4ETDP1HPGD
SCHEMBL4364410 0.81 KDM4E (0.41) ALDH1A1KDM4ETDP1RECQLL3MBTL1
SCHEMBL22219023 0.81 SMN1; SMN2 (0.48) ALDH1A1LMNAKDM4ETDP1RECQL
SCHEMBL13021583 0.79 MEN1 (0.45) ALDH1A1LMNAKDM4ETDP1RECQL
SCHEMBL13413138 0.79 KDM4E (0.42) ALDH1A1LMNAKDM4ETDP1RECQL
SCHEMBL8251597 0.78 GPR84 (0.42) LMNAKDM4ETDP1RECQLHPGD
SCHEMBL15430841 0.78 HPGD (0.51) ALDH1A1KDM4ETDP1RECQLHPGD

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 ALDH1A1 27/4885LMNA 2010/4885KDM4E 3318/4885
US-20100308716-A1 EMISSIVE DIARYL ACETYLENES B3GNT2, GSTO1, NAT1 ALDH1A1 15/4885LMNA 4201/4885KDM4E 2553/4885

“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.