SCHEMBL2673258

SCHEMBL2673258

CCCC(C(C)=O)[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
NFKB1 P19838 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SLC6A3 Q01959 2/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 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
Ammonia Solution, Strong SCHEMBL11860536 0.98 TSHR (0.38) TSHRCYP3A4NFKB1NPSR1SLC6A3
SCHEMBL253003 0.85 CA1 (0.44) NFKB1ALDH1A1CES1CES2CA1
SCHEMBL9851962 0.84 CHRM1 (0.48) TSHRCYP3A4NFKB1NPSR1SLC6A3
SCHEMBL11508090 0.81
SCHEMBL19604838 0.80 TSHR (0.38) TSHRCYP3A4NFKB1NPSR1SLC6A3
SCHEMBL28727343 0.80 MEN1 (0.38) TSHRTDP1ALDH1A1
SCHEMBL11508659 0.78 CES2 (0.39) TSHRCYP3A4NFKB1NPSR1SLC6A3
SCHEMBL11695301 0.77 CES2 (0.37) TSHRCYP3A4NFKB1NPSR1SLC6A3
SCHEMBL17674236 0.77 POLB (0.39) TSHRCYP3A4NFKB1NPSR1SLC6A3
Ammonia Solution, Strong SCHEMBL11697179 0.77 CES2 (0.37) TSHRCYP3A4NFKB1NPSR1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253033-B2 De novo synthesis of bacteriochlorins NORTH CAROLINA STATE UNIVERSITY (US) 2019-04-09 US disclosed
US-20180072746-A1 DE NOVO SYNTHESIS OF BACTERIOCHLORINS UNIV NORTH CAROLINA STATE (US) 2018-03-15 US disclosed
US-9822123-B2 De novo synthesis of bacteriochlorins NORTH CAROLINA STATE UNIVERSITY (US) 2017-11-21 US disclosed
US-20140371286-A1 DE NOVO SYNTHESIS OF BACTERIOCHLORINS NORTH CAROLINA STATE UNIVERSITY (US) 2014-12-18 US disclosed
US-8664260-B2 De novo synthesis of bacteriochlorins NORTH CAROLINA STATE UNIVERSITY (US) 2014-03-04 US disclosed
EP-1848778-B1 DE NOVO SYNTHESIS OF BACTERIOCHLORINS UNIV NORTH CAROLINA STATE (US) 2013-04-10 EP disclosed
US-20120232463-A1 DE NOVO SYNTHESIS OF BACTERIOCHLORINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-09-13 US disclosed
US-8173691-B2 De novo synthesis of bacteriochlorins NORTH CAROLINA STATE UNIVERSITY (US) 2012-05-08 US disclosed
US-8173692-B2 De novo synthesis of bacteriochlorins NORTH CAROLINA STATE UNIVERSITY (US) 2012-05-08 US disclosed
US-20090226467-A1 DE NOVO SYNTHESIS OF BACTERIOCHLORINS NORTH CAROLINA STATE UNIVERSITY (US) 2009-09-10 US disclosed
US-20090191130-A1 DE NOVO SYNTHESIS OF BACTERIOCHLORINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-30 US disclosed
US-7534807-B2 infections, burns, sepsis, ulcers, periodontal disease, atherosclerosis, cosmetic and dermatologic conditions, acne, tissue sealing, neoplastic disease or cancer; active agents in photodynamic therapy, luminescent compounds in flow cytometry, solar cells, light harvesting arrays, molecular memory devices NORTH CAROLINA STATE UNIVERSITY (US) 2009-05-19 US disclosed
US-20060194960-A1 infections, burns, sepsis, ulcers, periodontal disease, atherosclerosis, cosmetic and dermatologic conditions, acne, tissue sealing, neoplastic disease or cancer; active agents in photodynamic therapy, luminescent compounds in flow cytometry, solar cells, light harvesting arrays, molecular memory devices NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-31 US disclosed
US-4159996-A Preparation of alkane diamines TEXACO INC. (US) 1979-07-03 US disclosed
US-3969322-A AMINOESTER POLYMER FROM A NITROKETONIZED POLYMER AND TERT-AMINO ALCOHOL TEXACO INC. (US) 1976-07-13 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 (7 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-10253033-B2 De novo synthesis of bacteriochlorins BCL6, ALDH1A2, ALAD TSHR 4491/4885CYP3A4 3866/4885NFKB1 1160/4885
US-20060194960-A1 infections, burns, sepsis, ulcers, periodontal disease, atherosclerosis, cosmetic and dermatologic conditions, acne, tissue sealing, neoplastic disease or cancer; active agents in photodynamic therapy, luminescent compounds in flow cytometry, solar cells, light harvesting arrays, molecular memory devices PCNA, SCD, BCL6 TSHR 4693/4885CYP3A4 3742/4885NFKB1 387/4885
US-20120232463-A1 DE NOVO SYNTHESIS OF BACTERIOCHLORINS BCL6, ALDH1A2, ALAD TSHR 4491/4885CYP3A4 3866/4885NFKB1 1160/4885
US-20140371286-A1 DE NOVO SYNTHESIS OF BACTERIOCHLORINS BCL6, ALDH1A2, ALAD TSHR 4491/4885CYP3A4 3866/4885NFKB1 1160/4885
US-20180072746-A1 DE NOVO SYNTHESIS OF BACTERIOCHLORINS BCL6, ALDH1A2, ALAD TSHR 4491/4885CYP3A4 3866/4885NFKB1 1160/4885
US-20090226467-A1 DE NOVO SYNTHESIS OF BACTERIOCHLORINS BCL6, ALDH1A2, ALAD TSHR 4491/4885CYP3A4 3866/4885NFKB1 1160/4885
US-20090191130-A1 DE NOVO SYNTHESIS OF BACTERIOCHLORINS BCL6, ALDH1A2, ALAD TSHR 4491/4885CYP3A4 3866/4885NFKB1 1160/4885

“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.