SCHEMBL4353679

SCHEMBL4353679

CCCCCCCCn1c2ccc(I)cc2c2cc(I)ccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.52
PSEN2 P49810 7/20 0.52
APH1B Q8WW43 7/20 0.52
NCSTN Q92542 7/20 0.52
APH1A Q96BI3 7/20 0.52
PSENEN Q9NZ42 7/20 0.52
CNR2 P34972 9/20 0.48
RORA P35398 2/20 0.45
RORC P51449 2/20 0.45
RORB Q92753 2/20 0.45
CNR1 P21554 1/20 0.43
NPC1 O15118 1/20 0.43
PGR P06401 1/20 0.42

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
SCHEMBL14893382 1.00 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2957510 1.00 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8143866 1.00 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1921908 0.93 RORA (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14908435 0.92 CNR2 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27641643 0.92 CNR2 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18261947 0.91 KDM4E (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18261951 0.91 KDM4E (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14893345 0.87 PTGER4 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6859976 0.86 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104151533-B A kind of fluorescent conjugated polymer containing phenothiazine group and synthetic method thereof and application 华南理工大学 2016-10-05 CN disclosed
US-20150273457-A1 HIGHLY ACTIVE MULTIDENTATE CATALYSTS FOR EFFICIENT ALKYNE METATHESIS NATIONAL SCIENCE FOUNDATION 2015-10-01 US disclosed
US-8993804-B2 Highly active multidentate catalysts for efficient alkyne metathesis THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2015-03-31 US disclosed
US-20130261295-A1 Highly Active Multidentate Catalysts for Efficient Alkyne Metathesis THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2013-10-03 US disclosed
US-20090054649-A1 Bridged Organosilane and Production Method Thereof KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2009-02-26 US disclosed
US-20090054649-A1 Bridged Organosilane and Production Method Thereof KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2009-02-26 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 (3 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-20150273457-A1 HIGHLY ACTIVE MULTIDENTATE CATALYSTS FOR EFFICIENT ALKYNE METATHESIS PCNA, TRIM58, CAD PSEN1 4496/4885PSEN2 4541/4885APH1B 3027/4885
US-20090054649-A1 Bridged Organosilane and Production Method Thereof C5, CCNE1, QSOX1 PSEN1 3557/4885PSEN2 3722/4885APH1B 1677/4885
US-20130261295-A1 Highly Active Multidentate Catalysts for Efficient Alkyne Metathesis PCNA, TRIM58, CAD PSEN1 4496/4885PSEN2 4541/4885APH1B 3027/4885

“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.