SCHEMBL9748639

SCHEMBL9748639

CC(C)NCC(C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.53
GABRR1 P24046 2/20 0.42
CYP1A2 P05177 2/20 0.42
FOLH1 Q04609 2/20 0.41
NAALAD2 Q9Y3Q0 2/20 0.41
ENPEP Q07075 2/20 0.41
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
BLM P54132 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ADRB2 P07550 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 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
SCHEMBL10767735 1.00 APAF1 (0.53) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL25543906 0.81 APAF1 (0.36) APAF1CYP1A2ADRB2MEN1KMT2A
SCHEMBL3235189 0.78 APAF1 (0.48) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL25548515 0.78 APAF1 (0.48) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL11316232 0.78 APAF1 (0.47) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL11505440 0.78 APAF1 (0.47) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL7402444 0.77 TET2 (0.42) CYP1A2KDM4EPOLBMAPTBLM
SCHEMBL10308384 0.77 APAF1 (0.34) APAF1KDM4EPOLBMAPTBLM
SCHEMBL7402442 0.77 TET2 (0.42) CYP1A2KDM4EPOLBMAPTBLM
SCHEMBL19090802 0.77 TET2 (0.42) CYP1A2KDM4EPOLBMAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20210246344-A1 Biological buffers with wide buffering ranges DALY THOMAS (US) 2021-08-12 US disclosed
US-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION Jubilant Prodel LLC 2021-06-17 US disclosed
US-20200071582-A1 Biological Buffers with Wide Buffering Ranges TPAT IP LLC 2020-03-05 US disclosed
US-8334402-B2 Biological buffers with wide buffering ranges TPAT IP LLC 2012-12-18 US disclosed
US-8034951-B2 Biological buffers with wide buffering ranges TPAT IP LLC 2011-10-11 US disclosed
US-20110137076-A1 Biological Buffers with Wide Buffering Ranges TPAT IP LLC 2011-06-09 US disclosed
US-7939659-B2 Biological buffers with wide buffering ranges TPAT IP LLC 2011-05-10 US disclosed
US-20100190993-A1 Biological Buffers with Wide Buffering Ranges TPAT IP LLC 2010-07-29 US disclosed
US-20100099868-A1 Biological Buffers with Wide Buffering Ranges TPAT IP LLC 2010-04-22 US disclosed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
EP-0219852-B1 CHARTREUSIN DERIVATIVES, SALTS THEREOF, ANTITUMOROUS COMPOSITIONS CONTAINING THE SAME, AND PROCESSES FOR PRODUCING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-02-05 EP disclosed
US-5064945-A Antitumor Agents ISHIHARA SANGYO KAISHA, LTD. (JP) 1991-11-12 US disclosed
US-4927919-A ANTITUMOR AGENTS ISHIHARA SANGYO KAISHA, LTD. (JP) 1990-05-22 US disclosed
EP-0159708-B1 CHARTREUSIN DERIVATIVES, SALTS THEREOF, ANTITUMOROUS COMPOSITIONS CONTAINING THE SAME, AND PROCESSES FOR PRODUING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 1989-12-13 EP disclosed
US-4760136-A Chartreusin derivatives and salts thereof ISHIHARA SANGYO KAISHA, LTD. (JP) 1988-07-26 US disclosed
EP-0159708-A2 Chartreusin derivatives, salts thereof, antitumorous compositions containing the same, and processes for produing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1985-10-30 EP disclosed
US-4217238-A BASIC SALT, SCRUBBING EXXON RESEARCH & ENGINEERING CO. (US) 1980-08-12 US disclosed
US-4094957-A CARBON DIOXIDE EXXON RESEARCH & ENGINEERING CO. (US) 1978-06-13 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-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION PDCD1, CD274, PDCD1LG2 APAF1 888/4885GABRR1 4195/4885CYP1A2 241/4885
US-20100099868-A1 Biological Buffers with Wide Buffering Ranges PEF1, SLC7A1, PLPBP APAF1 1850/4885GABRR1 625/4885CYP1A2 4877/4885
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS NR1H3, NR1H2, SREBF1 APAF1 1784/4885GABRR1 992/4885CYP1A2 2612/4885
US-20100190993-A1 Biological Buffers with Wide Buffering Ranges PEF1, SLC7A1, PLPBP APAF1 1850/4885GABRR1 625/4885CYP1A2 4877/4885
US-20200071582-A1 Biological Buffers with Wide Buffering Ranges PEF1, SLC7A1, PLPBP APAF1 1850/4885GABRR1 625/4885CYP1A2 4877/4885
US-20110137076-A1 Biological Buffers with Wide Buffering Ranges PEF1, SLC7A1, PLPBP APAF1 1850/4885GABRR1 625/4885CYP1A2 4877/4885
US-20210246344-A1 Biological buffers with wide buffering ranges PEF1, SLC7A1, PLPBP APAF1 1886/4885GABRR1 636/4885CYP1A2 4877/4885

“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.