SCHEMBL2327652

SCHEMBL2327652

COc1cccc(C(=O)C=O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.67
CES1 P23141 1/20 0.67
ABCG2 Q9UNQ0 1/20 0.66
PARP1 P09874 1/20 0.62
MAOB P27338 1/20 0.62
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
MAPT P10636 4/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 2/20 0.55
GPR52 Q9Y2T5 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55

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
Water SCHEMBL1894563 0.98 CES2 (0.65) CES2CES1ABCG2PARP1MAOB
SCHEMBL31167605 0.87 ABCG2 (0.78) CES2CES1ABCG2PARP1MAOB
SCHEMBL2961632 0.84 CES2 (0.65) CES2CES1ABCG2PARP1MAOB
SCHEMBL14619169 0.84 CES2 (0.65) CES2CES1ABCG2PARP1MAOB
SCHEMBL30267550 0.83 ABCG2 (0.68) CES2CES1ABCG2PARP1MAOB
SCHEMBL8780343 0.82 KMT2A (0.55) CES2CES1ABCG2MAOBNPC1
SCHEMBL21843730 0.82 ABCG2 (0.71) CES2CES1ABCG2PARP1MAOB
SCHEMBL30641502 0.82 ABCG2 (0.71) CES2CES1ABCG2PARP1MAOB
SCHEMBL18674567 0.82 CES2 (0.62) CES2CES1ABCG2PARP1MAOB
SCHEMBL8254893 0.82 NPC1 (0.67) CES2CES1ABCG2PARP1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4548097-A1 IMMUNOASSAY USING CARBON NANOMATERIALS AND METHOD OF DETECTING TARGET ANTIGEN USING THE SAME Lee, Ji Hoon (US) 2025-05-07 EP disclosed
CN-119497822-A Immunoassay method based on carbon nanomaterial and method for detecting target antigen by immunoassay method 李知勋 2025-02-21 CN disclosed
WO-2024210572-A1 NOVEL IMIDAZOLE DERIVATIVE AND USE THEREOF 주식회사 펠레메드 2024-10-10 WO disclosed
US-12054472-B2 1,2,4-triazine-4-amine derivatives NXERA PHARMA UK LIMITED (GB) 2024-08-06 US disclosed
US-20240003891-A1 IMMUNOASSAY USING CARBON NANOMATERIALS AND METHOD OF DETECTING TARGET ANTIGEN USING THE SAME LEE JI HOON (US) 2024-01-04 US disclosed
WO-2024006423-A1 IMMUNOASSAY USING CARBON NANOMATERIALS AND METHOD OF DETECTING TARGET ANTIGEN USING THE SAME LEE JI HOON (US) 2024-01-04 WO disclosed
US-20230021177-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES NXERA PHARMA UK LIMITED (GB) 2023-01-19 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-10988455-B2 1,2,4-triazine-4-amine derivatives HEPTARES THERAPEUTICS LIMITED (GB) 2021-04-27 US disclosed
CN-112638889-A Urolithin A and derivatives thereof for use in therapy 路易斯维尔大学研究基金会 2021-04-09 CN disclosed
US-20130324542-A1 [1,2,4]TRIAZOLO[4,3-B][1,2,4]TRIAZINE COMPOUNDS, PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2013-12-05 US disclosed
EP-2650293-A1 [1,2,4]TRIAZOLO[4,3-B][1,2,4]TRIAZINE COMPOUND, PREPARATION METHOD AND USE THEREOF Shanghai Institute Materia Medica, Chinese Academy Of Sciences (CN) 2013-10-16 EP disclosed
US-20130029963-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES HEPTARES THERAPEUTICS LIMITED (GB) 2013-01-31 US disclosed
EP-2531492-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES Heptares Therapeutics Limited (GB) 2012-12-12 EP disclosed
WO-2011095625-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES HEPTARES THERAPEUTICS LIMITED (GB) 2011-08-11 WO disclosed
EP-0536896-B1 Imidazolidyl macrolides having immunosuppressive activity MERCK & CO INC (US) 1997-12-17 EP disclosed
US-5344925-A Autoimmune diseases; infections; organ transplants MERCK & CO., INC. (US) 1994-09-06 US disclosed
US-5247076-A IMIDAZOLIDYL MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO., INC. (US) 1993-09-21 US disclosed
EP-0536896-A1 Imidazolidyl macrolides having immunosuppressive activity MERCK & CO. INC. (US) 1993-04-14 EP disclosed
WO-1993005059-A1 IMIDAZOLIDYL MACROLIDES MERCK & CO., INC. (US) 1993-03-18 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 (5 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-10988455-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 CES2 1956/4885CES1 680/4885ABCG2 827/4885
US-20230021177-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 CES2 2166/4885CES1 793/4885ABCG2 695/4885
US-12054472-B2 1,2,4-triazine-4-amine derivatives ADORA2A, ADORA2B, ADORA1 CES2 1506/4885CES1 1376/4885ABCG2 314/4885
US-20130324542-A1 [1,2,4]TRIAZOLO[4,3-B][1,2,4]TRIAZINE COMPOUNDS, PREPARATION METHOD AND USE THEREOF MET, RET, ALK CES2 672/4885CES1 522/4885ABCG2 215/4885
US-20130029963-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 CES2 1956/4885CES1 680/4885ABCG2 827/4885

“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.