SCHEMBL238995

SCHEMBL238995

Nc1ccc(C#Cc2cc[c]cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.70
MAPT P10636 3/20 0.58
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PDK1 Q15118 1/20 0.38
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADK P55263 1/20 0.34
TLR9 Q9NR96 2/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL11883827 0.84 APP (0.44) APPMAPT
SCHEMBL9611200 0.84 APP (1.00) APPMAPTMEN1KMT2APIK3CA
SCHEMBL864945 0.84 APP (1.00) APPMAPTMEN1KMT2APIK3CA
SCHEMBL21903463 0.78 APP (0.88) APPMAPTMEN1KMT2APIK3CA
SCHEMBL241059 0.77 CA2 (0.46) APPALDH1A1
SCHEMBL5492434 0.76 MAPT (0.59) APPMAPTMEN1KMT2APIK3CA
SCHEMBL8093298 0.75 KCNH2 (0.45) APPMAPTADK
SCHEMBL240889 0.75 APP (0.56) APPMAPTMEN1KMT2AMTOR
SCHEMBL241974 0.75 APP (0.36) APPMAPT
SCHEMBL237915 0.75 APP (0.36) APPMAPT

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 111 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8231941-B2 Procedure for preparing redox-active polymers on surfaces THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-31 US claimed
US-20100330284-A1 PROCEDURE FOR PREPARING REDOX-ACTIVE POLYMERS ON SURFACES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-30 US claimed
US-7452572-B1 Procedure for preparing redox-active polymers on surfaces THE NORTH CAROLINA STATE UNIVERSITY (US) 2008-11-18 US claimed
US-20080280047-A1 PROCEDURE FOR PREPARING REDOX-ACTIVE POLYMERS ON SURFACES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-11-13 US claimed
US-7312100-B2 In situ patterning of electrolyte for molecular information storage devices THE NORTH CAROLINA STATE UNIVERSITY (US) 2007-12-25 US claimed
EP-1809473-A2 PROCEDURE FOR PREPARING REDOX-ACTIVE POLYMERS ON SURFACES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-07-25 EP claimed
US-20050207208-A1 Situ patterning of electrolyte for molecular information storage devices THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-09-22 US claimed
WO-2005086826-A2 PROCEDURE FOR PREPARING REDOX-ACTIVE POLYMERS ON SURFACES THE REGENTS OF THE UNIVERSITY (US) 2005-09-22 WO claimed
US-6944047-B2 Variable-persistence molecular memory devices and methods of operation thereof NORTH CAROLINA STATE UNIVERSITY (US) 2005-09-13 US claimed
WO-2005017953-A2 IN SITU PATTERNING OF ELECTROLYTE FOR MOLECULAR INFORMATION STORAGE DEVICES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-02-24 WO claimed
US-20040120180-A1 Variable-persistence molecular memory devices and methods of operation thereof NORTH CAROLINA STATE UNIVERSITY 2004-06-24 US claimed
CN-117881432-A Porphyrin-hydrogen porphyrin compounds, compositions comprising the same, and methods of use thereof 北卡罗莱纳州立大学 2024-04-12 CN disclosed
EP-4319823-A1 PORPHYRIN-HYDROPORPHYRIN COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND METHODS OF USE THEREOF North Carolina State University (US) 2024-02-14 EP disclosed
WO-2022216927-A9 PORPHYRIN-HYDROPORPHYRIN COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND METHODS OF USE THEREOF NORTH CAROLINA STATE UNIVERSITY (US) 2023-09-14 WO disclosed
US-10919904-B2 Northern-southern route to synthesis of bacteriochlorins NORTH CAROLINA STATE UNIVERSITY (US) 2021-02-16 US disclosed
EP-1474832-A1 METHOD AND SYSTEM FOR MOLECULAR CHARGE STORAGE FIELD EFFECT TRANSISTOR The Regents of the University of California (US) 2004-11-10 EP disclosed
US-20040120180-A1 Variable-persistence molecular memory devices and methods of operation thereof NORTH CAROLINA STATE UNIVERSITY 2004-06-24 US disclosed
US-6674121-B2 Method and system for molecular charge storage field effect transistor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-01-06 US disclosed
WO-2003052835-A1 METHOD AND SYSTEM FOR MOLECULAR CHARGE STORAGE FIELD EFFECT TRANSISTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-06-26 WO disclosed
US-20030111670-A1 Method and system for molecular charge storage field effect transistor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-06-19 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-10919904-B2 Northern-southern route to synthesis of bacteriochlorins DLD, HCCS, PPIF APP 4717/4885MAPT 4325/4885MEN1 2209/4885

“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.