SCHEMBL509677

SCHEMBL509677

CCOC(=O)CC(=O)c1cnccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
TSHR P16473 2/20 0.52
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
KMT2A Q03164 3/20 0.52
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
NAPRT Q6XQN6 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADORA3 P0DMS8 1/20 0.44
MC4R P32245 1/20 0.44
ADRA1A P35348 1/20 0.44
MC3R P41968 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL2917895 0.86 POLB (0.51) POLBTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL1459971 0.85 KDM4E (0.50) POLBTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL2917891 0.84 NPC1 (0.50) POLBTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL30568667 0.80 POLB (0.61) POLBTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL2558377 0.80 POLB (0.61) POLBTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL15993406 0.79 PKM (0.44) NPC1RAB9ASMN1; SMN2KMT2ACYP1A2
SCHEMBL14740765 0.79 KDM4E (0.48) POLBTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL3405646 0.79 POLB (0.50) POLBSMN1; SMN2KMT2AHPGDCYP1A2
SCHEMBL6603504 0.78 KDM4E (0.53) POLBTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL601821 0.77 LMNA (0.54) POLBTSHRNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11935803-B2 Resin composition, laminate, semiconductor wafer with resin composition layer, substrate for mounting semiconductor with resin composition layer and semiconductor device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-03-19 US disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
CN-112004845-B Resin composition, laminate, semiconductor wafer with resin composition layer, substrate, and semiconductor device 三菱瓦斯化学株式会社 2022-05-31 CN disclosed
WO-2021216812-A1 GALACTOKINASE INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-10-28 WO disclosed
US-20210277221-A1 RESIN COMPOSITION, LAMINATE, SEMICONDUCTOR WAFER WITH RESIN COMPOSITION LAYER, SUBSTRATE FOR MOUNTING SEMICONDUCTOR WITH RESIN COMPOSITION LAYER AND SEMICONDUCTOR DEVICE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-09-09 US disclosed
EP-3786200-A1 RESIN COMPOSITION, LAMINATE, RESIN COMPOSITION LAYER-ATTACHED SEMICONDUCTOR WAFER, SUBSTRATE FOR MOUNTING RESIN COMPOSITION LAYER-ATTACHED SEMICONDUCTOR, AND SEMICONDUCTOR DEVICE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-03-03 EP disclosed
CN-112004845-A Resin composition, laminate, semiconductor wafer with resin composition layer, substrate for mounting semiconductor with resin composition layer, and semiconductor device 三菱瓦斯化学株式会社 2020-11-27 CN disclosed
US-20180170942-A1 POLYCYCLIC DERIVATIVES TARGETING RAL GTPASES AND THEIR THERAPEUTICAL APPLICATIONS NANTBIO INC (US) 2018-06-21 US disclosed
WO-2016205460-A1 POLYCYCLIC DERIVATIVES TARGETING RAL GTPASES AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. (US) 2016-12-22 WO disclosed
EP-1931677-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 EP disclosed
US-6222062-B1 USEFUL AS PRECURSORS FOR ORGANOLEPTIC COMPOUNDS, ESPECIALLY FOR FLAVORS, FRAGRANCES AND MASKING AGENTS AND ANTIMICROBIAL COMPOUNDS GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-04-24 US disclosed
EP-1090624-A2 Beta ketoester Givaudan SA (CH) 2001-04-11 EP disclosed
EP-0911315-A1 Beta-ketoester Givaudan Roure (International) S.A. (CH) 1999-04-28 EP disclosed
US-4179511-A Antibacterial 3-(5-tetrazolyl) penam compounds PFIZER INC. (US) 1979-12-18 US disclosed
US-4144339-A TREATMENT OF BILHARZIASIS RHONE-POULENC INDUSTRIES (FR) 1979-03-13 US disclosed
US-4143039-A ANTIBACTERIAL 3-(5-TETRAZOLYL)PENAM COMPOUNDS PFIZER INC. (US) 1979-03-06 US disclosed
US-4138487-A NEMATOCIDES RHONE-POULENC INDUSTRIES (FR) 1979-02-06 US disclosed
US-4115385-A PENICILLINS PFIZER INC. (US) 1978-09-19 US disclosed
US-4110450-A BILHARZIASIS RHONE-POULENC INDUSTRIES (FR) 1978-08-29 US disclosed
US-4058611-A PYRAZINYL, BILHARZIASIS, AMOEBIASIS RHONE-POULENC INDUSTRIES (FR) 1977-11-15 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 (2 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-20180170942-A1 POLYCYCLIC DERIVATIVES TARGETING RAL GTPASES AND THEIR THERAPEUTICAL APPLICATIONS KRAS, HRAS, RALA POLB 1715/4885TSHR 4017/4885NPC1 1365/4885
US-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR POLB 3401/4885TSHR 1938/4885NPC1 3021/4885

“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.